2-Propen-1-ol, 2-methyl-3-phenyl-, 1-acetate

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  • Identifiers

    CAS number
    72797-29-6

    Molecular formula
    C12H14O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 84.2%
    Fruity 80.97%
    Floral 77.69%
    Balsamic 59.7%
    Spicy 59.39%
    Green 45.91%
    Cherry 42.89%
    Cinnamon 41.29%
    Herbal 39.81%
    Powdery 36.57%

     

    Flavor
    Sweet 69.97%
    Floral 65.82%
    Balsam 49.39%
    Fruity 48.91%
    Spicy 42.54%
    Bitter 38.42%
    Rose 37.12%
    Honey 34.08%
    Cherry 31.2%
    Raspberry 30.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.15 (weak base)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 135.36 ˚C est.

  • Synonyms

    • alpha-Methylcinnamyl acetate
    • 72797-29-6
    • 2-Propen-1-ol, 2-methyl-3-phenyl-, acetate
    • 2-Propen-1-ol, 2-methyl-3-phenyl-, 1-acetate
    • DTXSID40888228
    • RefChem:478650
    • DTXCID601027508
    • [(E)-2-methyl-3-phenylprop-2-enyl] acetate
    • .alpha.-Methylcinnamyl acetate
    • SCHEMBL5454169
    • 72797-29-6

  • Applications

    2-Propen-1-ol, 2-methyl-3-phenyl-, 1-acetate (CAS 72797-29-6) is an acetate ester of an allyl alcohol bearing a methyl and a phenyl substituent; in industrial practice it is considered an organic synthesis intermediate and may be used as a fragrance ingredient or fixative in perfumery and cosmetics, as a solvent or component in coatings, inks, and adhesives, as a precursor for polymers and plastics, and as a solvent in cleaning and other industrial formulations, depending on formulation requirements and local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 416.46
    methanol 453.33
    isopropanol 291.28
    water 0.82
    ethyl acetate 297.87
    n-propanol 268.18
    acetone 632.25
    n-butanol 239.35
    acetonitrile 332.38
    DMF 875.46
    toluene 93.38
    isobutanol 192.91
    1,4-dioxane 548.64
    methyl acetate 396.85
    THF 532.05
    2-butanone 443.15
    n-pentanol 216.18
    sec-butanol 230.97
    n-hexane 24.13
    ethylene glycol 166.13
    NMP 420.63
    cyclohexane 10.92
    DMSO 839.83
    n-butyl acetate 187.7
    n-octanol 109.12
    chloroform 814.15
    n-propyl acetate 189.91
    acetic acid 289.63
    dichloromethane 697.6
    cyclohexanone 319.57
    propylene glycol 267.09
    isopropyl acetate 160.01
    DMAc 843.03
    2-ethoxyethanol 426.99
    isopentanol 234.5
    n-heptane 9.92
    ethyl formate 175.39
    1,2-dichloroethane 446.36
    n-hexanol 198.63
    2-methoxyethanol 595.01
    isobutyl acetate 141.97
    tetrachloromethane 56.7
    n-pentyl acetate 109.8
    transcutol 1210.09
    n-heptanol 84.02
    ethylbenzene 93.0
    MIBK 186.65
    2-propoxyethanol 368.43
    tert-butanol 384.51
    MTBE 307.94
    2-butoxyethanol 193.08
    propionic acid 241.62
    o-xylene 79.31
    formic acid 129.16
    diethyl ether 286.75
    m-xylene 81.49
    p-xylene 104.05
    chlorobenzene 160.86
    dimethyl carbonate 152.91
    n-octane 6.24
    formamide 193.56
    cyclopentanone 410.77
    2-pentanone 281.21
    anisole 283.53
    cyclopentyl methyl ether 231.67
    gamma-butyrolactone 401.04
    1-methoxy-2-propanol 445.03
    pyridine 285.63
    3-pentanone 221.22
    furfural 388.4
    n-dodecane 7.24
    diethylene glycol 350.3
    diisopropyl ether 69.56
    tert-amyl alcohol 297.21
    acetylacetone 329.3
    n-hexadecane 8.15
    acetophenone 217.52
    methyl propionate 270.15
    isopentyl acetate 183.89
    trichloroethylene 807.78
    n-nonanol 93.44
    cyclohexanol 146.91
    benzyl alcohol 191.76
    2-ethylhexanol 115.92
    isooctanol 73.9
    dipropyl ether 113.79
    1,2-dichlorobenzene 170.47
    ethyl lactate 130.9
    propylene carbonate 235.82
    n-methylformamide 284.22
    2-pentanol 159.56
    n-pentane 11.36
    1-propoxy-2-propanol 241.89
    1-methoxy-2-propyl acetate 221.5
    2-(2-methoxypropoxy) propanol 239.86
    mesitylene 52.61
    ε-caprolactone 267.84
    p-cymene 50.36
    epichlorohydrin 586.31
    1,1,1-trichloroethane 325.3
    2-aminoethanol 271.16
    morpholine-4-carbaldehyde 509.7
    sulfolane 491.04
    2,2,4-trimethylpentane 12.91
    2-methyltetrahydrofuran 349.72
    n-hexyl acetate 196.55
    isooctane 10.43
    2-(2-butoxyethoxy)ethanol 326.54
    sec-butyl acetate 141.94
    tert-butyl acetate 201.77
    decalin 19.68
    glycerin 303.51
    diglyme 525.02
    acrylic acid 224.46
    isopropyl myristate 75.34
    n-butyric acid 238.57
    acetyl acetate 179.84
    di(2-ethylhexyl) phthalate 84.86
    ethyl propionate 171.08
    nitromethane 520.29
    1,2-diethoxyethane 284.57
    benzonitrile 182.25
    trioctyl phosphate 54.9
    1-bromopropane 233.06
    gamma-valerolactone 490.25
    n-decanol 70.79
    triethyl phosphate 80.87
    4-methyl-2-pentanol 109.32
    propionitrile 216.32
    vinylene carbonate 224.72
    1,1,2-trichlorotrifluoroethane 450.12
    DMS 200.89
    cumene 71.27
    2-octanol 60.3
    2-hexanone 229.28
    octyl acetate 98.38
    limonene 68.47
    1,2-dimethoxyethane 543.77
    ethyl orthosilicate 80.32
    tributyl phosphate 78.58
    diacetone alcohol 281.01
    N,N-dimethylaniline 174.98
    acrylonitrile 270.45
    aniline 161.28
    1,3-propanediol 282.56
    bromobenzene 162.86
    dibromomethane 422.8
    1,1,2,2-tetrachloroethane 684.18
    2-methyl-cyclohexyl acetate 127.8
    tetrabutyl urea 103.58
    diisobutyl methanol 65.54
    2-phenylethanol 168.29
    styrene 116.39
    dioctyl adipate 116.05
    dimethyl sulfate 261.95
    ethyl butyrate 136.3
    methyl lactate 177.24
    butyl lactate 118.85
    diethyl carbonate 107.75
    propanediol butyl ether 245.71
    triethyl orthoformate 100.53
    p-tert-butyltoluene 51.58
    methyl 4-tert-butylbenzoate 172.36
    morpholine 564.33
    tert-butylamine 199.83
    n-dodecanol 53.85
    dimethoxymethane 417.7
    ethylene carbonate 175.89
    cyrene 207.84
    2-ethoxyethyl acetate 194.1
    2-ethylhexyl acetate 136.88
    1,2,4-trichlorobenzene 224.23
    4-methylpyridine 297.52
    dibutyl ether 128.19
    2,6-dimethyl-4-heptanol 65.54
    DEF 307.8
    dimethyl isosorbide 299.23
    tetrachloroethylene 354.02
    eugenol 187.48
    triacetin 218.92
    span 80 181.8
    1,4-butanediol 155.1
    1,1-dichloroethane 438.66
    2-methyl-1-pentanol 202.53
    methyl formate 235.53
    2-methyl-1-butanol 208.59
    n-decane 11.7
    butyronitrile 221.25
    3,7-dimethyl-1-octanol 112.38
    1-chlorooctane 64.15
    1-chlorotetradecane 26.51
    n-nonane 11.23
    undecane 8.89
    tert-butylcyclohexane 23.24
    cyclooctane 4.73
    cyclopentanol 150.19
    tetrahydropyran 327.12
    tert-amyl methyl ether 227.08
    2,5,8-trioxanonane 365.64
    1-hexene 125.4
    2-isopropoxyethanol 286.03
    2,2,2-trifluoroethanol 114.97
    methyl butyrate 212.67

    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