Salicylaldehyde

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  • Identifiers

    CAS number
    90-02-8

    Molecular formula
    C7H6O2

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1038.0
    • Carbowax: 1670.5

  • Odor profile

    Phenolic 71.74%
    Sweet 66.33%
    Almond 64.02%
    Spicy 60.99%
    Bitter 56.48%
    Medicinal 55.68%
    Vanilla 46.19%
    Cherry 45.71%
    Nutty 45.62%
    Cinnamon 43.12%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    122.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 19.4 °F (USCG, 1999)
    • -7 °C
    • 0.7 °C

    Boiling point

    • 386 °F at 760 mmHg (USCG, 1999)
    • 197 °C
    • 196.00 to 197.00 °C. @ 760.00 mm Hg

    Flash point est.
    99.06 ˚C

    Flash point expt.

    • 172 °F (USCG, 1999)
    • ca.78 °C (172 °F) - closed cup

    Solubility expt.

    • Solubility in water, 1.7X10+4 mg/L at 86 °C
    • Slightly soluble in water
    • Slightly soluble in chloroform; miscible with ethanol; very soluble in acetone, benzene
    • Soluble in most organic solvents and oils
    • 17 mg/mL at 86 °C
    • slightly soluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • SALICYLALDEHYDE
    • 2-Hydroxybenzaldehyde
    • 90-02-8
    • o-Hydroxybenzaldehyde
    • o-Formylphenol
    • Salicylal
    • 2-Formylphenol
    • Salicylic aldehyde
    • Benzaldehyde, 2-hydroxy-
    • Salicyladehyde
    • Salicylaldehyd
    • Salizylaldehyd
    • Benzaldehyde, o-hydroxy-
    • 2-HYDROXY-BENZALDEHYDE
    • FEMA No. 3004
    • MFCD00003317
    • NSC 49178
    • CCRIS 7451
    • HSDB 721
    • salicylylaldehyde
    • EINECS 201-961-0
    • UNII-17K64GZH20
    • BRN 0471388
    • DTXSID1021792
    • CHEBI:16008
    • 2-hydroxy benzaldehyde
    • AI3-02174
    • 17K64GZH20
    • NSC-49178
    • CHEMBL108925
    • DTXCID001792
    • EC 201-961-0
    • 4-08-00-00176 (Beilstein Handbook Reference)
    • NSC-83559
    • NSC-83560
    • NSC-83561
    • NSC-83562
    • NSC-97202
    • NSC-112278
    • Benzaldehyde, hydroxy-
    • salicyl aldehyde
    • CAS-90-02-8
    • 27761-48-4
    • 2-Hydroxy(formyl-~13~C)benzaldehyde
    • 2-(~2~H)Hydroxy(formyl-~2~H_5_)benzaldehyde
    • Salicylylal
    • hydroxylbenzaldehyde
    • hydroxy benzaldehyde
    • Dembrexine Hydrochloride Monohydrate Imp. D (EP); Dembrexine Imp. D (EP); 2-Hydroxybenzaldehyde; Salicylaldehyde; Dembrexine Hydrochloride Monohydrate Impurity D; Dembrexine Impurity D
    • hydroxyl benzaldehyde
    • 2-hyroxy-benzaldehyde
    • 2-oxidanylbenzaldehyde
    • o-hydroxy benzaldehyde
    • Salicylaldehyde, 8CI
    • 2- hydroxybenzaldehyde
    • 2'-Hydroxybenzaldehyde
    • Benzaldehyde, o-hydroxy
    • benzaldehyde, 2-hydroxy
    • WLN: VHR BQ
    • bmse000677
    • SALICYLALDEHYDE [MI]
    • SCHEMBL15395
    • SALICYLALDEHYDE [FCC]
    • SALICYLALDEHYDE [FHFI]
    • SALICYLALDEHYDE [HSDB]
    • Salicylaldehyde, >=98%, FG
    • FEMA 3004
    • Salicylaldehyde, p.a., 99.0%
    • BCP31374
    • CS-D1188
    • GNA45802
    • NSC49178
    • Salicylaldehyde, analytical standard
    • Tox21_201737
    • Tox21_302929
    • BDBM50139367
    • NSC187662
    • Salicylaldehyde, reagent grade, 98%
    • STL194289
    • AKOS000119187
    • 2-hydroxybenzaldehyde (salicylaldehyde)
    • FS34067
    • NSC-187662
    • NCGC00249108-01
    • NCGC00256460-01
    • NCGC00259286-01
    • AS-13997
    • NS00013184
    • S0275
    • Salicylaldehyde, redist., >=99.0% (GC)
    • EN300-18033
    • C06202
    • A843413
    • Q414492
    • Z57127523
    • F2190-0607
    • 2-Hydroxybenzaldehyde;o-Hydroxybenzaldehyde;o-Formylphenol
    • InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9
    • 201-961-0

  • Applications

    Salicylaldehyde (CAS 90-02-8) is an aromatic aldehyde with a characteristic almond-like odor that is widely employed as a flavor and fragrance ingredient in food, tobacco and cosmetics; it also serves as a versatile intermediate for the synthesis of coumarins, benzodiazepines, fungicides, pesticides, dyes and specialty polymers; owing to its concomitant phenolic and aldehydic functions it readily forms Schiff bases and hemiacetals, making it a popular chelating ligand in coordination chemistry, a reagent for colorimetric determination of Fe³⁺, Al³⁺, Co²⁺ and other metal ions, and a valuable building block for fluorescent probes, epoxy-curing agents, alkyd resins, optoelectronic materials and other research chemicals.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 175.89
    methanol 216.74
    isopropanol 121.84
    water 1.85
    ethyl acetate 240.44
    n-propanol 145.79
    acetone 165.75
    n-butanol 112.54
    acetonitrile 186.71
    DMF 349.65
    toluene 24.65
    isobutanol 85.25
    1,4-dioxane 482.33
    methyl acetate 307.95
    THF 504.93
    2-butanone 202.63
    n-pentanol 104.73
    sec-butanol 103.29
    n-hexane 3.49
    ethylene glycol 66.8
    NMP 200.27
    cyclohexane 3.54
    DMSO 537.2
    n-butyl acetate 114.84
    n-octanol 53.46
    chloroform 82.34
    n-propyl acetate 154.38
    acetic acid 200.19
    dichloromethane 68.97
    cyclohexanone 144.7
    propylene glycol 54.83
    isopropyl acetate 119.82
    DMAc 253.67
    2-ethoxyethanol 224.91
    isopentanol 101.93
    n-heptane 6.51
    ethyl formate 115.87
    1,2-dichloroethane 96.63
    n-hexanol 109.71
    2-methoxyethanol 321.25
    isobutyl acetate 84.63
    tetrachloromethane 15.58
    n-pentyl acetate 63.06
    transcutol 1030.28
    n-heptanol 53.79
    ethylbenzene 19.33
    MIBK 118.51
    2-propoxyethanol 228.38
    tert-butanol 196.19
    MTBE 130.45
    2-butoxyethanol 124.58
    propionic acid 188.24
    o-xylene 24.26
    formic acid 124.85
    diethyl ether 163.22
    m-xylene 26.2
    p-xylene 26.38
    chlorobenzene 37.82
    dimethyl carbonate 100.66
    n-octane 2.97
    formamide 291.55
    cyclopentanone 239.18
    2-pentanone 149.98
    anisole 94.52
    cyclopentyl methyl ether 144.56
    gamma-butyrolactone 381.8
    1-methoxy-2-propanol 229.81
    pyridine 138.32
    3-pentanone 108.39
    furfural 228.43
    n-dodecane 3.64
    diethylene glycol 193.47
    diisopropyl ether 42.38
    tert-amyl alcohol 133.4
    acetylacetone 191.97
    n-hexadecane 4.11
    acetophenone 88.14
    methyl propionate 180.07
    isopentyl acetate 95.2
    trichloroethylene 159.82
    n-nonanol 49.52
    cyclohexanol 72.97
    benzyl alcohol 69.05
    2-ethylhexanol 62.23
    isooctanol 45.53
    dipropyl ether 78.11
    1,2-dichlorobenzene 39.35
    ethyl lactate 76.57
    propylene carbonate 172.41
    n-methylformamide 248.14
    2-pentanol 84.92
    n-pentane 3.26
    1-propoxy-2-propanol 154.21
    1-methoxy-2-propyl acetate 145.81
    2-(2-methoxypropoxy) propanol 147.65
    mesitylene 20.16
    ε-caprolactone 174.74
    p-cymene 19.94
    epichlorohydrin 352.19
    1,1,1-trichloroethane 83.72
    2-aminoethanol 114.78
    morpholine-4-carbaldehyde 318.09
    sulfolane 354.36
    2,2,4-trimethylpentane 4.8
    2-methyltetrahydrofuran 270.48
    n-hexyl acetate 96.47
    isooctane 5.43
    2-(2-butoxyethoxy)ethanol 223.47
    sec-butyl acetate 100.01
    tert-butyl acetate 146.04
    decalin 5.11
    glycerin 110.92
    diglyme 428.25
    acrylic acid 159.18
    isopropyl myristate 43.53
    n-butyric acid 167.77
    acetyl acetate 125.87
    di(2-ethylhexyl) phthalate 34.76
    ethyl propionate 124.02
    nitromethane 505.43
    1,2-diethoxyethane 204.32
    benzonitrile 72.31
    trioctyl phosphate 30.69
    1-bromopropane 41.42
    gamma-valerolactone 300.84
    n-decanol 38.3
    triethyl phosphate 47.52
    4-methyl-2-pentanol 63.84
    propionitrile 142.16
    vinylene carbonate 140.1
    1,1,2-trichlorotrifluoroethane 204.72
    DMS 103.21
    cumene 18.95
    2-octanol 33.74
    2-hexanone 146.87
    octyl acetate 54.24
    limonene 28.35
    1,2-dimethoxyethane 352.2
    ethyl orthosilicate 43.57
    tributyl phosphate 39.61
    diacetone alcohol 190.23
    N,N-dimethylaniline 58.31
    acrylonitrile 179.36
    aniline 58.28
    1,3-propanediol 161.22
    bromobenzene 27.63
    dibromomethane 38.19
    1,1,2,2-tetrachloroethane 130.23
    2-methyl-cyclohexyl acetate 66.29
    tetrabutyl urea 50.85
    diisobutyl methanol 43.22
    2-phenylethanol 79.02
    styrene 22.68
    dioctyl adipate 62.27
    dimethyl sulfate 153.7
    ethyl butyrate 100.65
    methyl lactate 103.84
    butyl lactate 59.9
    diethyl carbonate 71.49
    propanediol butyl ether 109.43
    triethyl orthoformate 64.58
    p-tert-butyltoluene 20.11
    methyl 4-tert-butylbenzoate 85.38
    morpholine 454.25
    tert-butylamine 88.46
    n-dodecanol 29.6
    dimethoxymethane 273.89
    ethylene carbonate 115.24
    cyrene 116.8
    2-ethoxyethyl acetate 122.3
    2-ethylhexyl acetate 67.9
    1,2,4-trichlorobenzene 54.01
    4-methylpyridine 102.03
    dibutyl ether 63.55
    2,6-dimethyl-4-heptanol 43.22
    DEF 173.33
    dimethyl isosorbide 207.43
    tetrachloroethylene 77.65
    eugenol 95.66
    triacetin 113.73
    span 80 97.81
    1,4-butanediol 65.47
    1,1-dichloroethane 77.06
    2-methyl-1-pentanol 89.1
    methyl formate 183.36
    2-methyl-1-butanol 85.92
    n-decane 5.32
    butyronitrile 103.7
    3,7-dimethyl-1-octanol 54.78
    1-chlorooctane 25.24
    1-chlorotetradecane 11.9
    n-nonane 4.56
    undecane 4.36
    tert-butylcyclohexane 6.41
    cyclooctane 2.07
    cyclopentanol 104.85
    tetrahydropyran 246.61
    tert-amyl methyl ether 89.93
    2,5,8-trioxanonane 293.18
    1-hexene 21.78
    2-isopropoxyethanol 162.58
    2,2,2-trifluoroethanol 96.41
    methyl butyrate 153.39

    Scent© AI

1 4

IFRA standard 51

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

Botanical

Name CAS Botanical Proportion
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.02%
Cinnamon bark 2a 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.11%
Cinnamon bark 3 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.48%
Tagetes (India) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 2.5%
Cassia, branch & leaf 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 1.75%
Cassia, bark 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 1.0%
Cassia, branch & leaf (China) 1a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.21%
Cassia, bark (China) 1 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.86%
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cassia, branch & leaf (China) 1b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.21%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.05%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.01%
Cinnamomum loureirii bark Cinnamomum loureirii, fam. Lauraceae 0.05%
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 0.1%
Cassia, bark (China) 5 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 1.01%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.45%
Cassia, leaf (China) 4b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.23%
Cassia, bark (China) 3b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.17%
Cinnamon bark 5 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.58%
Cinnamon bark (Sri Lanka) 2 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.1%
Anthoxanthum odoratum (Italy) 1a fresh leaf Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.01%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.01%
Decalepis hamiltonii root (India) Decalepis hamiltonii (Wight & Arn), fam. Asclepiadaceae 0.02%
Hemidesmus indicus Hemidesmus indicus R.Br., fam. Asclepiadaceae 0.1%
Gourd, bitter (Columbia) flower headspace Momordica charantia, fam. Cucurbitaceae 0.05%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Cinnamomum angustifolium leaf (Madagascar) Cinnamomum angustifolium Rafin, fam. Lauraceae 0.2%