2-Hydroxycinnamaldehyde

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  • Identifiers

    CAS number
    3541-42-2

    Molecular formula
    C9H8O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 78.17%
    Sweet 65.79%
    Cinnamon 59.1%
    Vanilla 54.79%
    Phenolic 46.0%
    Warm 41.56%
    Almond 41.39%
    Balsamic 40.27%
    Bitter 37.57%
    Nutty 36.49%

     

    Flavor
    Sweet 53.11%
    Cinnamon 52.06%
    Almond 38.88%
    Spicy 38.82%
    Bitter 35.63%
    Balsam 35.29%
    Phenolic 33.58%
    Cherry 33.26%
    Woody 32.05%
    Nutty 31.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.23 (weak base)

    Molecular weight
    148.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Melting point expt.

    • 131 - 132 °C

    Flash point

    • 139.67 ˚C est.

  • Synonyms

    • 2-Hydroxycinnamaldehyde
    • 3541-42-2
    • (E)-3-(2-hydroxyphenyl)prop-2-enal
    • DTXSID301313734
    • RefChem:473413
    • DTXCID301743545
    • 680-016-8
    • 60125-23-7
    • 3-(2-Hydroxyphenyl)-2-propenal
    • 3-(2-Hydroxyphenyl)acrylaldehyde
    • o-Hydroxycinnamaldehyde
    • (E)-3-(2-hydroxyphenyl)acrylaldehyde
    • (2E)-3-(2-hydroxyphenyl)prop-2-enal
    • (E)-2-Hydroxycinnamaldehyde
    • MFCD01736614
    • (E)-3-(2-Hydroxyphenyl)-2-propenal
    • 2-Hydroxycinnamic aldehyde
    • Cinnamaldehyde, o-hydroxy-
    • 2-Propenal, 3-(2-hydroxyphenyl)-
    • (E)-3-(2-Hydroxyphenyl)-2-propenal; (2E)-3-(2-Hydroxyphenyl)-2-propenal; (E)-3-(2-Hydroxyphenyl)acrylaldehyde; o-Hydroxy-trans-cinnamaldehyde; trans-2-Hydroxycinnamaldehyde;
    • 2'-Hydroxycinnamaldehyde
    • 2-hydroxyl cinnamaldehyde
    • Cinnamaldehyde deriv. IIa
    • 2-Propenal, 3-(2-hydroxyphenyl)-, (2E)-
    • CHEMBL52569
    • SCHEMBL197452
    • SCHEMBL197669
    • BDBM7568
    • orb1680009
    • orb1683679
    • SCHEMBL31388535
    • HY-N3149A
    • 2-Propenal, 3-(2-hydroxyphenyl)-, (E)-; (2E)-3-(2-Hydroxyphenyl)-2-propenal
    • CHEBI:178480
    • DTXSID601295133
    • DAA54142
    • HY-N3149
    • AKOS004118471
    • NSC 114588
    • (2E)-3-(2-hydroxyphenyl)-2-propenal
    • (E)-3-(2-hydroxyphenyl)-acrylaldehyde
    • DA-48642
    • SY107423
    • SY234840
    • CS-0023368
    • CS-0138954
    • H0952
    • D90980
    • EN300-1853176
    • 3541-42-2

  • Applications

    2-Hydroxycinnamaldehyde (CAS 3541-42-2) is primarily used as an aroma-related intermediate in fragrance chemistry, serving as a starting point for the synthesis of hydroxy-substituted cinnamaldehyde derivatives and other aroma-active compounds for perfumery. It is often evaluated as a precursor or fragrance component in cosmetics and personal care formulations. In industrial manufacturing, it can function as a building block for organic synthesis of specialty chemicals and functional materials; in coatings and inks, it may be used as a fragrance additive or as a precursor in related synthetic routes. Additionally, in pharmaceutical and agrochemical R&D, it is commonly employed as an intermediate to access more complex molecules. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 637.71
    methanol 719.81
    isopropanol 446.79
    water 0.99
    ethyl acetate 834.33
    n-propanol 398.6
    acetone 1753.36
    n-butanol 260.25
    acetonitrile 828.3
    DMF 1470.01
    toluene 131.17
    isobutanol 216.75
    1,4-dioxane 942.7
    methyl acetate 978.68
    THF 1563.22
    2-butanone 1084.51
    n-pentanol 189.62
    sec-butanol 325.95
    n-hexane 10.65
    ethylene glycol 151.93
    NMP 1290.53
    cyclohexane 12.88
    DMSO 3528.25
    n-butyl acetate 417.15
    n-octanol 96.07
    chloroform 241.99
    n-propyl acetate 513.0
    acetic acid 503.29
    dichloromethane 515.8
    cyclohexanone 776.24
    propylene glycol 158.74
    isopropyl acetate 318.27
    DMAc 874.98
    2-ethoxyethanol 445.22
    isopentanol 202.82
    n-heptane 15.37
    ethyl formate 373.04
    1,2-dichloroethane 626.81
    n-hexanol 173.28
    2-methoxyethanol 655.72
    isobutyl acetate 187.32
    tetrachloromethane 42.75
    n-pentyl acetate 187.87
    transcutol 2289.88
    n-heptanol 77.01
    ethylbenzene 78.25
    MIBK 273.86
    2-propoxyethanol 357.57
    tert-butanol 414.76
    MTBE 366.5
    2-butoxyethanol 198.4
    propionic acid 460.85
    o-xylene 92.53
    formic acid 249.01
    diethyl ether 522.96
    m-xylene 90.2
    p-xylene 87.26
    chlorobenzene 186.69
    dimethyl carbonate 280.53
    n-octane 4.96
    formamide 921.22
    cyclopentanone 1484.57
    2-pentanone 702.52
    anisole 296.59
    cyclopentyl methyl ether 545.53
    gamma-butyrolactone 1725.99
    1-methoxy-2-propanol 423.72
    pyridine 642.97
    3-pentanone 495.48
    furfural 814.84
    n-dodecane 4.75
    diethylene glycol 288.87
    diisopropyl ether 105.78
    tert-amyl alcohol 328.62
    acetylacetone 703.97
    n-hexadecane 5.55
    acetophenone 295.87
    methyl propionate 669.74
    isopentyl acetate 289.57
    trichloroethylene 927.52
    n-nonanol 81.72
    cyclohexanol 207.78
    benzyl alcohol 186.06
    2-ethylhexanol 110.57
    isooctanol 63.65
    dipropyl ether 194.37
    1,2-dichlorobenzene 163.22
    ethyl lactate 139.85
    propylene carbonate 562.75
    n-methylformamide 994.14
    2-pentanol 204.2
    n-pentane 9.86
    1-propoxy-2-propanol 253.71
    1-methoxy-2-propyl acetate 328.49
    2-(2-methoxypropoxy) propanol 242.5
    mesitylene 55.05
    ε-caprolactone 659.71
    p-cymene 55.02
    epichlorohydrin 1667.49
    1,1,1-trichloroethane 301.89
    2-aminoethanol 263.32
    morpholine-4-carbaldehyde 879.16
    sulfolane 1766.47
    2,2,4-trimethylpentane 9.99
    2-methyltetrahydrofuran 1083.0
    n-hexyl acetate 266.7
    isooctane 8.57
    2-(2-butoxyethoxy)ethanol 373.2
    sec-butyl acetate 251.29
    tert-butyl acetate 300.81
    decalin 14.43
    glycerin 193.52
    diglyme 790.22
    acrylic acid 396.54
    isopropyl myristate 86.26
    n-butyric acid 373.53
    acetyl acetate 309.77
    di(2-ethylhexyl) phthalate 70.67
    ethyl propionate 349.86
    nitromethane 1969.08
    1,2-diethoxyethane 508.16
    benzonitrile 241.48
    trioctyl phosphate 54.16
    1-bromopropane 204.73
    gamma-valerolactone 1113.44
    n-decanol 59.61
    triethyl phosphate 98.82
    4-methyl-2-pentanol 93.9
    propionitrile 419.34
    vinylene carbonate 389.43
    1,1,2-trichlorotrifluoroethane 507.7
    DMS 308.24
    cumene 52.4
    2-octanol 57.22
    2-hexanone 436.27
    octyl acetate 112.0
    limonene 82.55
    1,2-dimethoxyethane 720.28
    ethyl orthosilicate 86.35
    tributyl phosphate 79.75
    diacetone alcohol 351.65
    N,N-dimethylaniline 154.31
    acrylonitrile 549.9
    aniline 231.41
    1,3-propanediol 312.5
    bromobenzene 151.77
    dibromomethane 259.87
    1,1,2,2-tetrachloroethane 547.83
    2-methyl-cyclohexyl acetate 155.84
    tetrabutyl urea 108.92
    diisobutyl methanol 68.64
    2-phenylethanol 160.55
    styrene 104.29
    dioctyl adipate 141.47
    dimethyl sulfate 487.1
    ethyl butyrate 268.51
    methyl lactate 208.24
    butyl lactate 142.92
    diethyl carbonate 167.24
    propanediol butyl ether 229.87
    triethyl orthoformate 142.72
    p-tert-butyltoluene 49.79
    methyl 4-tert-butylbenzoate 176.0
    morpholine 1084.46
    tert-butylamine 182.6
    n-dodecanol 42.95
    dimethoxymethane 712.45
    ethylene carbonate 320.54
    cyrene 216.17
    2-ethoxyethyl acetate 346.06
    2-ethylhexyl acetate 217.11
    1,2,4-trichlorobenzene 218.31
    4-methylpyridine 505.9
    dibutyl ether 157.13
    2,6-dimethyl-4-heptanol 68.64
    DEF 630.72
    dimethyl isosorbide 398.37
    tetrachloroethylene 315.26
    eugenol 167.06
    triacetin 294.04
    span 80 160.65
    1,4-butanediol 123.77
    1,1-dichloroethane 426.43
    2-methyl-1-pentanol 150.84
    methyl formate 693.26
    2-methyl-1-butanol 201.78
    n-decane 8.31
    butyronitrile 302.59
    3,7-dimethyl-1-octanol 100.54
    1-chlorooctane 54.07
    1-chlorotetradecane 18.73
    n-nonane 7.7
    undecane 6.24
    tert-butylcyclohexane 14.11
    cyclooctane 6.14
    cyclopentanol 342.48
    tetrahydropyran 747.7
    tert-amyl methyl ether 248.32
    2,5,8-trioxanonane 435.49
    1-hexene 71.11
    2-isopropoxyethanol 288.32
    2,2,2-trifluoroethanol 195.7
    methyl butyrate 467.67

    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