Benzaldehyde

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  • Identifiers

    CAS number
    100-52-7

    Molecular formula
    C7H6O

    SMILES
    C1=CC=C(C=C1)C=O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 963.86
    • Carbowax: 1510.71

  • Odor profile

    Sweet 90.3%
    Fruity 86.91%
    Almond 85.03%
    Cherry 81.78%
    Bitter 73.25%
    Cinnamon 54.86%
    Nutty 54.62%
    Spicy 52.7%
    Powdery 46.42%
    Balsamic 46.16%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    106.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -15 °F (NTP, 1992)
    • -57.12 °C
    • -26 °C

    Boiling point

    • 354 °F at 760 mmHg (NTP, 1992)
    • 178.7 °C
    • 62.00 to 63.00 °C. @ 10.00 mm Hg
    • 179 °C

    Flash point est.
    57.81 ˚C

    Flash point expt.

    • 148 °F (NTP, 1992)
    • 145 °F, 63 °C (Closed cup)
    • 73.9 °C (Open cup)
    • 63 °C c.c.

    Solubility expt.

    • less than 0.1 mg/mL at 67.1 °F (NTP, 1992)
    • In water, 6950 mg/L at 25 °C
    • Approximately 0.6% wt. at 20 °C
    • Miscible with alcohol, ether, fixed and volatile oils
    • Soluble in liquid ammonia
    • Solubility of water in benzaldehyde at 20 °C, wt%: 1.5
    • 6.95 mg/mL at 25 °C
    • Solubility in water at 25 °C: poor
    • very slightly soluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • benzaldehyde
    • 100-52-7
    • Benzoic aldehyde
    • Phenylmethanal
    • Benzenecarboxaldehyde
    • Benzenecarbonal
    • Benzenemethylal
    • Benzaldehyde FFC
    • Benzene carbaldehyde
    • Benzene carboxaldehyde
    • benzanoaldehyde
    • Benzylaldehyde
    • Benzoyl hydride
    • NCI-C56133
    • Benzoic acid aldehyde
    • FEMA No. 2127
    • Caswell No. 076
    • Phenylformaldehyde
    • Benzaldehyde (natural)
    • NSC 7917
    • Benzadehyde
    • Benzyaldehyde
    • CCRIS 2376
    • HSDB 388
    • NSC-7917
    • EINECS 202-860-4
    • UNII-TA269SD04T
    • Benzaldehyde [NF]
    • EPA Pesticide Chemical Code 008601
    • Benzaldehyde-formyl-d
    • TA269SD04T
    • Benzaldehyde-alpha-d1
    • DTXSID8039241
    • CHEBI:17169
    • AI3-09931
    • MFCD00003299
    • Benzaldehyde, methyl-
    • CHEMBL15972
    • DTXCID90134
    • 55279-75-9
    • NSC7917
    • EC 202-860-4
    • Phenylmethanal benzenecarboxaldehyde
    • Benzaldehyde (NF)
    • NCGC00091819-01
    • NCGC00091819-02
    • BENZALDEHYDE (II)
    • BENZALDEHYDE [II]
    • BENZALDEHYDE (MART.)
    • BENZALDEHYDE [MART.]
    • Benzaldehyde-(phenyl-13C6)
    • benzaldehyd
    • Benzaldhyde
    • BENZALDEHYDE (USP IMPURITY)
    • BENZALDEHYDE [USP IMPURITY]
    • BDBM50139371
    • CAS-100-52-7
    • FENTANYL IMPURITY E (EP IMPURITY)
    • FENTANYL IMPURITY E [EP IMPURITY]
    • TRIBENOSIDE IMPURITY C (EP IMPURITY)
    • TRIBENOSIDE IMPURITY C [EP IMPURITY]
    • BENZYL ALCOHOL IMPURITY A (EP IMPURITY)
    • BENZYL ALCOHOL IMPURITY A [EP IMPURITY]
    • FENTANYL CITRATE IMPURITY E (EP IMPURITY)
    • FENTANYL CITRATE IMPURITY E [EP IMPURITY]
    • AMFETAMINE SULFATE IMPURITY D (EP IMPURITY)
    • AMFETAMINE SULFATE IMPURITY D [EP IMPURITY]
    • UN1990
    • Benzaldehyde-carbonyl-13C
    • BENZALKONIUM CHLORIDE IMPURITY B (EP IMPURITY)
    • BENZALKONIUM CHLORIDE IMPURITY B [EP IMPURITY]
    • GLYCOPYRRONIUM BROMIDE IMPURITY F (EP IMPURITY)
    • GLYCOPYRRONIUM BROMIDE IMPURITY F [EP IMPURITY]
    • HYDROUS BENZOYL PEROXIDE IMPURITY A (EP IMPURITY)
    • HYDROUS BENZOYL PEROXIDE IMPURITY A [EP IMPURITY]
    • benzaidehyde
    • benzaldehvde
    • benzaldehye
    • benzaldeyde
    • BENZOYLL PEROXIDE HYDROUS IMPURITY A (EP IMPURITY)
    • BENZOYLL PEROXIDE HYDROUS IMPURITY A [EP IMPURITY]
    • C7H6O
    • phenyl-methanone
    • Benzene methylal
    • Aromatic aldehyde
    • Benzoylwasserstoff
    • (phenyl)methanone
    • benzenecarbaldehyde
    • PhCHO
    • Benzene carcaboxaldehyde
    • 2vj1
    • WLN: VHR
    • BENZALDEHYDE [MI]
    • SCHEMBL573
    • BENZALDEHYDE [FCC]
    • BENZALDEHYDE [FHFI]
    • BENZALDEHYDE [HSDB]
    • BENZALDEHYDE [VANDF]
    • ghl.PD_Mitscher_leg0.170
    • BENZALDEHYDE [USP-RS]
    • Benzaldehyde, AR, >=99%
    • Benzaldehyde, LR, >=99%
    • BIDD:ER0249
    • BDBM60953
    • Benzaldehyde, analytical standard
    • Ald3-H_000012
    • Benzaldehyde, >=98%, FG, FCC
    • DGA48914
    • Ald3.1-H_000160
    • Ald3.1-H_000479
    • Ald3.1-H_000798
    • Tox21_113069
    • Tox21_113244
    • Tox21_200634
    • s5574
    • STL194067
    • Benzaldehyde, for synthesis, 95.0%
    • AKOS000119172
    • Benzaldehyde [UN1990] [Class 9]
    • CCG-266041
    • NA 1989
    • Benzaldehyde, purum, >=98.0% (GC)
    • Benzaldehyde, ReagentPlus(R), >=99%
    • NCGC00091819-03
    • NCGC00258188-01
    • FF170798
    • PS-11959
    • Benzaldehyde, natural, >=98%, FCC, FG

  • Applications

    Benzaldehyde (CAS 100-52-7) is an aromatic compound with a characteristic almond odor that finds extensive use as a flavoring agent imparting almond, cherry and vanilla notes to confectionery, beverages and tobacco; as a fragrance ingredient in cosmetics and fine perfumes; as an intermediate for pharmaceuticals such as chloramphenicol, ampicillin, cinnamic derivatives and certain sedatives; as a raw material for azo dyes, optical brighteners, wood preservatives and corrosion inhibitors; in the production of alkyd, epoxy and polyester resins, plasticizers and polymer stabilizers; in agrochemical synthesis for herbicides, pesticides and plant growth regulators; as a feed flavor additive, odor-masking component in oral-care products, constituent of photographic developers and a versatile reagent or indicator in organic laboratories, highlighting its broad utility across chemical, food, pharmaceutical and materials industries.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 261.88
    methanol 309.05
    isopropanol 155.29
    water 2.57
    ethyl acetate 650.65
    n-propanol 225.88
    acetone 480.93
    n-butanol 182.13
    acetonitrile 578.06
    DMF 1084.29
    toluene 138.76
    isobutanol 137.74
    1,4-dioxane 880.74
    methyl acetate 724.56
    THF 469.26
    2-butanone 482.13
    n-pentanol 140.53
    sec-butanol 143.39
    n-hexane 24.79
    ethylene glycol 109.73
    NMP 548.6
    cyclohexane 31.87
    DMSO 700.47
    n-butyl acetate 389.99
    n-octanol 125.41
    chloroform 913.56
    n-propyl acetate 415.83
    acetic acid 530.96
    dichloromethane 749.11
    cyclohexanone 428.79
    propylene glycol 96.51
    isopropyl acetate 273.42
    DMAc 649.19
    2-ethoxyethanol 336.97
    isopentanol 154.75
    n-heptane 29.79
    ethyl formate 352.94
    1,2-dichloroethane 687.81
    n-hexanol 209.87
    2-methoxyethanol 516.16
    isobutyl acetate 230.59
    tetrachloromethane 103.94
    n-pentyl acetate 191.58
    transcutol 2556.36
    n-heptanol 107.82
    ethylbenzene 121.07
    MIBK 198.62
    2-propoxyethanol 390.55
    tert-butanol 197.85
    MTBE 207.69
    2-butoxyethanol 254.58
    propionic acid 470.1
    o-xylene 108.2
    formic acid 209.35
    diethyl ether 326.56
    m-xylene 100.62
    p-xylene 136.79
    chlorobenzene 313.72
    dimethyl carbonate 274.97
    n-octane 14.13
    formamide 467.56
    cyclopentanone 470.0
    2-pentanone 327.23
    anisole 352.98
    cyclopentyl methyl ether 208.87
    gamma-butyrolactone 755.3
    1-methoxy-2-propanol 345.79
    pyridine 691.1
    3-pentanone 289.65
    furfural 766.81
    n-dodecane 13.29
    diethylene glycol 318.7
    diisopropyl ether 86.04
    tert-amyl alcohol 172.45
    acetylacetone 447.81
    n-hexadecane 15.38
    acetophenone 321.45
    methyl propionate 476.07
    isopentyl acetate 277.21
    trichloroethylene 1249.14
    n-nonanol 117.22
    cyclohexanol 137.35
    benzyl alcohol 195.47
    2-ethylhexanol 143.36
    isooctanol 96.04
    dipropyl ether 223.62
    1,2-dichlorobenzene 308.06
    ethyl lactate 177.95
    propylene carbonate 472.47
    n-methylformamide 596.81
    2-pentanol 132.77
    n-pentane 18.53
    1-propoxy-2-propanol 306.62
    1-methoxy-2-propyl acetate 361.45
    2-(2-methoxypropoxy) propanol 333.62
    mesitylene 71.0
    ε-caprolactone 479.06
    p-cymene 73.63
    epichlorohydrin 831.26
    1,1,1-trichloroethane 537.64
    2-aminoethanol 196.22
    morpholine-4-carbaldehyde 788.63
    sulfolane 668.44
    2,2,4-trimethylpentane 13.13
    2-methyltetrahydrofuran 333.58
    n-hexyl acetate 287.88
    isooctane 13.42
    2-(2-butoxyethoxy)ethanol 519.6
    sec-butyl acetate 242.26
    tert-butyl acetate 260.96
    decalin 27.81
    glycerin 171.95
    diglyme 1085.03
    acrylic acid 454.36
    isopropyl myristate 116.45
    n-butyric acid 484.55
    acetyl acetate 360.79
    di(2-ethylhexyl) phthalate 93.15
    ethyl propionate 362.17
    nitromethane 1291.13
    1,2-diethoxyethane 589.09
    benzonitrile 322.33
    trioctyl phosphate 69.77
    1-bromopropane 259.98
    gamma-valerolactone 745.56
    n-decanol 88.95
    triethyl phosphate 122.75
    4-methyl-2-pentanol 89.89
    propionitrile 432.3
    vinylene carbonate 511.2
    1,1,2-trichlorotrifluoroethane 598.89
    DMS 371.72
    cumene 83.3
    2-octanol 71.83
    2-hexanone 317.47
    octyl acetate 149.17
    limonene 97.26
    1,2-dimethoxyethane 659.95
    ethyl orthosilicate 112.45
    tributyl phosphate 98.91
    diacetone alcohol 301.84
    N,N-dimethylaniline 185.7
    acrylonitrile 677.15
    aniline 217.09
    1,3-propanediol 249.42
    bromobenzene 297.94
    dibromomethane 463.26
    1,1,2,2-tetrachloroethane 889.84
    2-methyl-cyclohexyl acetate 188.37
    tetrabutyl urea 130.67
    diisobutyl methanol 89.2
    2-phenylethanol 224.13
    styrene 177.38
    dioctyl adipate 176.17
    dimethyl sulfate 351.58
    ethyl butyrate 338.02
    methyl lactate 229.83
    butyl lactate 172.23
    diethyl carbonate 244.54
    propanediol butyl ether 228.58
    triethyl orthoformate 188.7
    p-tert-butyltoluene 67.29
    methyl 4-tert-butylbenzoate 224.88
    morpholine 724.98
    tert-butylamine 118.72
    n-dodecanol 69.73
    dimethoxymethane 498.04
    ethylene carbonate 373.33
    cyrene 200.46
    2-ethoxyethyl acetate 364.56
    2-ethylhexyl acetate 212.98
    1,2,4-trichlorobenzene 331.62
    4-methylpyridine 453.25
    dibutyl ether 207.22
    2,6-dimethyl-4-heptanol 89.2
    DEF 496.8
    dimethyl isosorbide 465.9
    tetrachloroethylene 568.41
    eugenol 258.94
    triacetin 342.49
    span 80 233.11
    1,4-butanediol 96.17
    1,1-dichloroethane 506.19
    2-methyl-1-pentanol 133.42
    methyl formate 457.45
    2-methyl-1-butanol 143.75
    n-decane 21.11
    butyronitrile 297.25
    3,7-dimethyl-1-octanol 139.34
    1-chlorooctane 98.66
    1-chlorotetradecane 39.78
    n-nonane 20.38
    undecane 16.31
    tert-butylcyclohexane 26.26
    cyclooctane 13.41
    cyclopentanol 144.59
    tetrahydropyran 420.47
    tert-amyl methyl ether 159.71
    2,5,8-trioxanonane 674.98
    1-hexene 103.17
    2-isopropoxyethanol 245.7
    2,2,2-trifluoroethanol 216.16
    methyl butyrate 454.37

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.045 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.52 %
Category 2
Products applied to the axillae
 0.014 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.52 %
Category 3
Products applied to the face/body using fingertips
 0.27 % Category 8
Products with significant anogenital exposure
 0.021 %
Category 4
Products related to fine fragrance
 0.25 % Category 9
Products with body and hand exposure, primarily rinse off
 0.49 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.064 % Category 10A
Household care products with mostly hand contact
 0.49 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.064 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 1.8 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.064 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.021 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.021 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.021 %
Category 6
Products with oral and lip exposure
 0.15 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
False acacia flower (Black locust flower) 1 Robinia pseudoacacia L. (False acacia) (Black locust), fam. Leguminosae 2.58%
Almond 8013-76-1 Prunus dulcis (Miller) D.A. Webb (P. amygdalus Batsch, P. communis L.) 95.0%
Shanqiu Anaphalis margaritacea (L.) Benth.et Hook.(Shanqiu),fam.Asteraceae (Comp.) 0.03%
Apricot kernel 68650-44-2 Prunus armeniaca L., fam. Rosaceae 95.0%
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.6%
Lemon balm (Germany) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Lemon balm (Spain) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Basil 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.11%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.04%
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.05%
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 1.16%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 4.73%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 2.68%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 3.01%
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.03%
Cinnamon bark 2a 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.03%
Cinnamon bark 3 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.17%
Cistus leaf 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 2.0%
Citronella java (China) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.01%
Elsholtzia blanda (China) Elsholtzia blanda Benth., fam. Lamiaceae (Labiatae) 0.44%
Fern, sweet 1 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 0.99%
Fern, sweet 2 Comptonia peregrina (L.) Coulter, fam. Pteridophytae 1.15%
Jasmine (Indonesia) 8022-96-6 Jasminum officinale var. grandiflorum L. (Red Flower), fam. Oleaceae 0.01%
Jasmine sambac (Indonesia) Jasminum sambac (L.) Aiton, fam. Oleaceae 0.07%
Cistus (Spain) 1 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.7%
Linden blossom bract Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 1.75%
Linden blossom flower Tilia cordata Mill. (Tilia glabra Vent.), fam. Tiliaceae 0.3%
Myrrh gum (headspace) 8016-37-3 Commiphora myrrha (Nees) Engler, fam. Burseraceae 0.53%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Sassafras (Brazil) 1 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 0.03%
Lilac, Purple, Living Flower Headspace Syringa vulgaris L., fam. Oleaceae 1.2%
Lilac, Purple, Picked Flower Headspace 1 Syringa vulgaris L., fam. Oleaceae 0.4%
Lilac, Purple, Picked Flower Headspace 2 Syringa vulgaris L., fam. Oleaceae 1.7%
Rose (Turkey) 6 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.07%
Rose (Bulgaria) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Turkey) 1 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.03%
Rose (Turkey) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Tejpat leaf (eugenol-type) 1 Cinnamomum tamala (Ham.) Nees et Eberm., fam. Lauraceae 0.2%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.05%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.03%
Populus deltoides Populus deltoides Bartr. (P. deltoides Marsh.), fam. Salicaceae 0.2%
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.06%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.29%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.25%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.35%
Mandarin leaf (Petitgrain mandarin.) (Israel) 4 Citrus reticulata Blanco, cultivar Maya, fam. Rutaceae 0.02%
Mandarin leaf (Petitgrain mandarin.) (Israel) 7 Citrus reticulata Blanco, cultivar Nectarine, fam. Rutaceae 0.01%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.05%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%
Petiveria alliaceae (Brazil) flower Petiveria alliaceae L., fam. Phytolaccaceae 54.8%
Viola etrusca (Italy) 1a hydrodistilled oil Viola etrusca Erben, fam. Violaceae 0.01%
Viola etrusca (Italy) 1b yellow flower headspace Viola etrusca Erben, fam. Violaceae 0.23%
Aniba riparia (Brazil) 1a leaf Aniba riparia (Nees) Mez, fam. Lauraceae 0.3%
Aniba riparia (Brazil) 1b branch Aniba riparia (Nees) Mez, fam. Lauraceae 0.3%
Aniba riparia (Brazil) 1c bark wood Aniba riparia (Nees) Mez, fam. Lauraceae 0.4%
Aniba riparia (Brazil) 1d trunk wood Aniba riparia (Nees) Mez, fam. Lauraceae 0.1%
Salvia aucheri (Turkey) 1b var. canenscens Salvia aucheri Benth. var. canenscens, fam. Lamiaceae (Labiatae) 0.05%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.75%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 0.01%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 0.9%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.1%
Oregano, greek (United Kingdom) 84012-24-8 Origanum vulgare L., fam. Lamiaceae (Labiatae) 0.1%
Papaya (Cameroon) headspace of ripe fruit Carica papaya L., 0.01%
Cistus 8016-26-0 Cistus ladaniferus L. (C. ladanifer L.), fam. Cistaceae 0.16%
Cinnamon bark (Madagascar, Ecocert) 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Laureaceae 0.58%