Benzaldehyde

  • Identifiers

    CAS mumber
    100-52-7

    Molecular formula
    C7H6O

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

    Retention indicies (RI)

    • DB5: 963.86
    • Carbowax: 1510.71

  • Properties

    XLogP3-AA
    1.5 Well soluble in DEP, MMB, TEC

    Molecular weight
    106.12 g/mol

    Melting points

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

    Boiling points

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

    Flash points

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

    Solubilities

    • 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
1 3

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%