Coniferyl acetate

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  • Identifiers

    CAS number
    79440-81-6

    Molecular formula
    C12H14O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 83.2%
    Spicy 72.24%
    Floral 72.12%
    Vanilla 66.41%
    Balsamic 59.38%
    Powdery 51.09%
    Clove 48.65%
    Woody 46.85%
    Fruity 41.76%
    Warm 38.52%

     

    Flavor
    Sweet 79.11%
    Floral 60.32%
    Spicy 48.76%
    Vanilla 46.18%
    Woody 45.61%
    Powdery 41.93%
    Clove 39.92%
    Spice 38.89%
    Balsam 37.21%
    Creamy 35.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.81 (weak base)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    335°C

    Flash point

    • 165.99 ˚C est.

  • Synonyms

    • coniferyl acetate
    • (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl acetate
    • CHEBI:47905
    • 79440-81-6
    • [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] acetate
    • ((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl) acetate
    • RefChem:1082137
    • 94930-81-1
    • (E)-3-(4-Hydroxy-3-methoxyphenyl)allyl acetate
    • Phenol, 4-[(1E)-3-(acetyloxy)-1-propen-1-yl]-2-methoxy-
    • coniferyl-9-O-acetate
    • Phenol, 4-[3-(acetyloxy)-1-propenyl]-2-methoxy-
    • (E)-coniferyl acetate
    • orb2563961
    • SCHEMBL2908857
    • DTXSID901220230
    • 3-(4-Hydroxy-3-methoxyphenyl)allyl acetate
    • C20225
    • G68493
    • [(E)-3-(4-hydroxy-3-methoxy-phenyl)allyl] acetate
    • Q27120847
    • 4-[(1E)-3-(Acetyloxy)-1-propen-1-yl]-2-methoxyphenol
    • 94930-81-1

  • Applications

    Coniferyl acetate (CAS 79440-81-6) is used primarily as a chemical intermediate and potential fragrance ingredient in commercial aroma chemistry. In perfumery and cosmetics, it may serve as a fragrance component; in flavor and fragrance synthesis, it can act as a precursor for additional aroma compounds; in household and cleaning products, it can contribute to fragrance formulations; in industrial manufacturing, it is employed as an intermediate for the synthesis of related phenylpropanoid derivatives and lignin-derived materials; in polymers and plastics, it may be used as a specialized intermediate for derivative or functionalized materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 68.98
    methanol 95.02
    isopropanol 71.5
    water 0.5
    ethyl acetate 84.14
    n-propanol 53.3
    acetone 135.09
    n-butanol 40.35
    acetonitrile 81.43
    DMF 216.49
    toluene 11.69
    isobutanol 33.53
    1,4-dioxane 189.52
    methyl acetate 93.33
    THF 363.08
    2-butanone 84.06
    n-pentanol 36.04
    sec-butanol 59.32
    n-hexane 1.83
    ethylene glycol 49.29
    NMP 101.85
    cyclohexane 1.98
    DMSO 647.52
    n-butyl acetate 32.03
    n-octanol 13.42
    chloroform 101.17
    n-propyl acetate 40.04
    acetic acid 124.05
    dichloromethane 114.25
    cyclohexanone 73.9
    propylene glycol 61.92
    isopropyl acetate 38.67
    DMAc 311.23
    2-ethoxyethanol 172.38
    isopentanol 37.82
    n-heptane 1.42
    ethyl formate 40.47
    1,2-dichloroethane 83.8
    n-hexanol 26.31
    2-methoxyethanol 235.1
    isobutyl acetate 25.09
    tetrachloromethane 8.26
    n-pentyl acetate 15.88
    transcutol 268.9
    n-heptanol 12.81
    ethylbenzene 11.78
    MIBK 40.5
    2-propoxyethanol 92.15
    tert-butanol 199.52
    MTBE 90.22
    2-butoxyethanol 40.15
    propionic acid 59.32
    o-xylene 13.69
    formic acid 77.2
    diethyl ether 67.19
    m-xylene 10.11
    p-xylene 15.83
    chlorobenzene 21.13
    dimethyl carbonate 52.75
    n-octane 0.95
    formamide 161.93
    cyclopentanone 117.57
    2-pentanone 53.83
    anisole 58.17
    cyclopentyl methyl ether 60.82
    gamma-butyrolactone 137.42
    1-methoxy-2-propanol 150.81
    pyridine 61.71
    3-pentanone 45.95
    furfural 127.35
    n-dodecane 1.23
    diethylene glycol 122.71
    diisopropyl ether 14.73
    tert-amyl alcohol 107.68
    acetylacetone 95.86
    n-hexadecane 1.39
    acetophenone 49.51
    methyl propionate 69.2
    isopentyl acetate 33.32
    trichloroethylene 136.6
    n-nonanol 14.2
    cyclohexanol 37.13
    benzyl alcohol 43.78
    2-ethylhexanol 17.93
    isooctanol 12.34
    dipropyl ether 23.75
    1,2-dichlorobenzene 27.87
    ethyl lactate 36.75
    propylene carbonate 53.67
    n-methylformamide 88.24
    2-pentanol 30.44
    n-pentane 1.06
    1-propoxy-2-propanol 55.04
    1-methoxy-2-propyl acetate 54.78
    2-(2-methoxypropoxy) propanol 72.23
    mesitylene 8.49
    ε-caprolactone 63.69
    p-cymene 10.14
    epichlorohydrin 196.29
    1,1,1-trichloroethane 54.06
    2-aminoethanol 71.68
    morpholine-4-carbaldehyde 171.33
    sulfolane 188.92
    2,2,4-trimethylpentane 2.4
    2-methyltetrahydrofuran 118.34
    n-hexyl acetate 27.37
    isooctane 1.4
    2-(2-butoxyethoxy)ethanol 78.92
    sec-butyl acetate 30.15
    tert-butyl acetate 59.44
    decalin 2.95
    glycerin 117.56
    diglyme 155.76
    acrylic acid 60.87
    isopropyl myristate 14.9
    n-butyric acid 54.62
    acetyl acetate 52.8
    di(2-ethylhexyl) phthalate 18.95
    ethyl propionate 41.48
    nitromethane 260.57
    1,2-diethoxyethane 64.13
    benzonitrile 35.19
    trioctyl phosphate 12.05
    1-bromopropane 31.27
    gamma-valerolactone 150.93
    n-decanol 11.55
    triethyl phosphate 29.07
    4-methyl-2-pentanol 20.16
    propionitrile 53.93
    vinylene carbonate 52.52
    1,1,2-trichlorotrifluoroethane 147.73
    DMS 46.48
    cumene 10.96
    2-octanol 9.51
    2-hexanone 43.61
    octyl acetate 17.56
    limonene 13.94
    1,2-dimethoxyethane 212.53
    ethyl orthosilicate 26.81
    tributyl phosphate 17.81
    diacetone alcohol 89.1
    N,N-dimethylaniline 41.43
    acrylonitrile 68.75
    aniline 34.74
    1,3-propanediol 96.16
    bromobenzene 18.64
    dibromomethane 60.48
    1,1,2,2-tetrachloroethane 115.41
    2-methyl-cyclohexyl acetate 33.08
    tetrabutyl urea 25.26
    diisobutyl methanol 14.53
    2-phenylethanol 34.05
    styrene 14.68
    dioctyl adipate 28.53
    dimethyl sulfate 110.26
    ethyl butyrate 32.36
    methyl lactate 55.14
    butyl lactate 22.11
    diethyl carbonate 30.2
    propanediol butyl ether 40.16
    triethyl orthoformate 31.39
    p-tert-butyltoluene 10.47
    methyl 4-tert-butylbenzoate 42.53
    morpholine 226.88
    tert-butylamine 62.8
    n-dodecanol 9.72
    dimethoxymethane 171.48
    ethylene carbonate 43.74
    cyrene 68.41
    2-ethoxyethyl acetate 38.41
    2-ethylhexyl acetate 25.29
    1,2,4-trichlorobenzene 36.26
    4-methylpyridine 49.8
    dibutyl ether 20.18
    2,6-dimethyl-4-heptanol 14.53
    DEF 69.8
    dimethyl isosorbide 102.49
    tetrachloroethylene 60.73
    eugenol 46.66
    triacetin 48.59
    span 80 40.57
    1,4-butanediol 39.98
    1,1-dichloroethane 60.34
    2-methyl-1-pentanol 36.13
    methyl formate 69.2
    2-methyl-1-butanol 34.38
    n-decane 1.86
    butyronitrile 39.2
    3,7-dimethyl-1-octanol 17.73
    1-chlorooctane 8.55
    1-chlorotetradecane 4.44
    n-nonane 1.57
    undecane 1.45
    tert-butylcyclohexane 3.09
    cyclooctane 0.93
    cyclopentanol 45.25
    tetrahydropyran 103.23
    tert-amyl methyl ether 58.85
    2,5,8-trioxanonane 128.29
    1-hexene 9.4
    2-isopropoxyethanol 91.38
    2,2,2-trifluoroethanol 58.65
    methyl butyrate 48.79

    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