Benzenepropanol, gamma-methylene-, 1-acetate

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  • Identifiers

    CAS number
    7306-12-9

    Molecular formula
    C12H14O2

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

  • Odor profile

    Fragrance
    Floral 89.64%
    Sweet 76.48%
    Balsamic 66.45%
    Fruity 48.67%
    Honey 46.88%
    Rose 43.55%
    Spicy 43.17%
    Powdery 42.1%
    Hyacinth 33.78%
    Cinnamon 31.44%

     

    Flavor
    Floral 74.2%
    Sweet 71.22%
    Fruity 49.03%
    Balsam 48.51%
    Honey 42.93%
    Rose 38.51%
    Powdery 29.68%
    Raspberry 29.23%
    Spicy 28.81%
    Flower 28.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.27 (neutral)

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    266°C

    Flash point

    • 126.47 ˚C est.

  • Synonyms

    • 3-Phenylbut-3-enyl acetate
    • 7306-12-9
    • 3-Phenyl-3-buten-1-yl acetate
    • ACETIC ACID 3-PHENYL-BUT-3-ENYL ESTER
    • Benzenepropanol, 2-methylene-, acetate
    • Benzenepropanol, gamma-methylene-, 1-acetate
    • DTXSID4052473
    • EINECS 230-755-3
    • Benzenepropanol, gamma-methylene-, acetate
    • Benzenepropanol, .gamma.-methylene-, acetate
    • hawthorn acetate
    • 1-acetoxy-3-phenyl-but-3-ene
    • 3-phenylbut-3-en-1-yl acetate
    • SCHEMBL5708597
    • 2-Phenyl-1-buten-4-yl acetate
    • 5D4Q59F4T2
    • DTXCID101776584
    • 3-PHENYL-3-BUTENYL ACETATE
    • 3-Buten-1-ol, 3-phenyl-, acetate
    • AKOS006274706
    • NS00012889
    • Benzenepropanol, .gamma.-methylene-, 1-acetate
    • Q63399274
    • 230-755-3

  • Applications

    Chemical name: Benzenepropanol, gamma-methylene-, 1-acetate; CAS number: 7306-12-9. This aromatic acetate is commonly used as a fragrance ingredient and synthesis intermediate. Typical applications include: as a fragrance component and possible fixative in perfumery and cosmetics; as a solvent or co-solvent in coatings, inks, and cleaning formulations; as a processing aid or plasticizer precursor in polymers and plastics; as an intermediate in organic synthesis. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 575.35
    methanol 767.7
    isopropanol 344.33
    water 1.53
    ethyl acetate 368.27
    n-propanol 378.75
    acetone 585.53
    n-butanol 262.4
    acetonitrile 448.19
    DMF 1217.12
    toluene 106.36
    isobutanol 205.95
    1,4-dioxane 1013.35
    methyl acetate 381.08
    THF 797.24
    2-butanone 397.73
    n-pentanol 192.6
    sec-butanol 246.91
    n-hexane 7.66
    ethylene glycol 178.55
    NMP 626.87
    cyclohexane 8.81
    DMSO 1566.17
    n-butyl acetate 164.71
    n-octanol 42.15
    chloroform 1127.81
    n-propyl acetate 162.04
    acetic acid 496.61
    dichloromethane 1082.3
    cyclohexanone 420.33
    propylene glycol 268.85
    isopropyl acetate 179.07
    DMAc 1079.16
    2-ethoxyethanol 487.15
    isopentanol 202.4
    n-heptane 3.79
    ethyl formate 180.69
    1,2-dichloroethane 668.94
    n-hexanol 116.38
    2-methoxyethanol 813.47
    isobutyl acetate 105.47
    tetrachloromethane 57.97
    n-pentyl acetate 69.81
    transcutol 1766.56
    n-heptanol 39.69
    ethylbenzene 56.53
    MIBK 147.02
    2-propoxyethanol 309.6
    tert-butanol 392.91
    MTBE 248.54
    2-butoxyethanol 125.67
    propionic acid 309.9
    o-xylene 66.34
    formic acid 278.52
    diethyl ether 338.67
    m-xylene 65.34
    p-xylene 69.05
    chlorobenzene 195.05
    dimethyl carbonate 173.49
    n-octane 1.8
    formamide 523.39
    cyclopentanone 517.75
    2-pentanone 251.62
    anisole 249.46
    cyclopentyl methyl ether 261.9
    gamma-butyrolactone 609.53
    1-methoxy-2-propanol 470.22
    pyridine 546.52
    3-pentanone 209.34
    furfural 558.24
    n-dodecane 2.23
    diethylene glycol 327.15
    diisopropyl ether 52.67
    tert-amyl alcohol 262.31
    acetylacetone 367.37
    n-hexadecane 2.59
    acetophenone 182.29
    methyl propionate 302.98
    isopentyl acetate 148.33
    trichloroethylene 1177.74
    n-nonanol 39.94
    cyclohexanol 170.19
    benzyl alcohol 179.06
    2-ethylhexanol 62.13
    isooctanol 35.38
    dipropyl ether 85.26
    1,2-dichlorobenzene 185.65
    ethyl lactate 97.1
    propylene carbonate 275.48
    n-methylformamide 488.29
    2-pentanol 129.86
    n-pentane 4.54
    1-propoxy-2-propanol 181.94
    1-methoxy-2-propyl acetate 224.65
    2-(2-methoxypropoxy) propanol 215.69
    mesitylene 35.28
    ε-caprolactone 348.33
    p-cymene 30.95
    epichlorohydrin 931.08
    1,1,1-trichloroethane 360.08
    2-aminoethanol 342.4
    morpholine-4-carbaldehyde 761.95
    sulfolane 715.83
    2,2,4-trimethylpentane 6.07
    2-methyltetrahydrofuran 488.57
    n-hexyl acetate 121.45
    isooctane 4.08
    2-(2-butoxyethoxy)ethanol 311.64
    sec-butyl acetate 114.22
    tert-butyl acetate 217.75
    decalin 10.41
    glycerin 353.69
    diglyme 628.49
    acrylic acid 264.07
    isopropyl myristate 47.36
    n-butyric acid 315.22
    acetyl acetate 205.35
    di(2-ethylhexyl) phthalate 61.46
    ethyl propionate 153.98
    nitromethane 920.55
    1,2-diethoxyethane 328.79
    benzonitrile 190.23
    trioctyl phosphate 34.39
    1-bromopropane 243.78
    gamma-valerolactone 750.61
    n-decanol 30.27
    triethyl phosphate 75.39
    4-methyl-2-pentanol 67.83
    propionitrile 257.08
    vinylene carbonate 273.13
    1,1,2-trichlorotrifluoroethane 533.96
    DMS 188.44
    cumene 40.89
    2-octanol 25.96
    2-hexanone 167.05
    octyl acetate 60.22
    limonene 45.38
    1,2-dimethoxyethane 686.56
    ethyl orthosilicate 71.86
    tributyl phosphate 59.14
    diacetone alcohol 259.55
    N,N-dimethylaniline 139.32
    acrylonitrile 356.01
    aniline 237.95
    1,3-propanediol 384.92
    bromobenzene 190.85
    dibromomethane 560.03
    1,1,2,2-tetrachloroethane 899.74
    2-methyl-cyclohexyl acetate 108.6
    tetrabutyl urea 75.44
    diisobutyl methanol 39.58
    2-phenylethanol 125.31
    styrene 86.92
    dioctyl adipate 93.6
    dimethyl sulfate 309.65
    ethyl butyrate 121.32
    methyl lactate 171.63
    butyl lactate 84.44
    diethyl carbonate 101.76
    propanediol butyl ether 164.13
    triethyl orthoformate 97.3
    p-tert-butyltoluene 30.76
    methyl 4-tert-butylbenzoate 134.58
    morpholine 1188.62
    tert-butylamine 172.48
    n-dodecanol 22.97
    dimethoxymethane 584.18
    ethylene carbonate 224.72
    cyrene 193.63
    2-ethoxyethyl acetate 171.75
    2-ethylhexyl acetate 111.75
    1,2,4-trichlorobenzene 245.6
    4-methylpyridine 432.36
    dibutyl ether 82.82
    2,6-dimethyl-4-heptanol 39.58
    DEF 372.64
    dimethyl isosorbide 328.23
    tetrachloroethylene 471.68
    eugenol 147.12
    triacetin 187.64
    span 80 142.61
    1,4-butanediol 151.77
    1,1-dichloroethane 510.5
    2-methyl-1-pentanol 152.56
    methyl formate 303.1
    2-methyl-1-butanol 189.26
    n-decane 3.46
    butyronitrile 234.59
    3,7-dimethyl-1-octanol 56.22
    1-chlorooctane 25.22
    1-chlorotetradecane 10.88
    n-nonane 2.98
    undecane 2.72
    tert-butylcyclohexane 10.84
    cyclooctane 2.59
    cyclopentanol 192.13
    tetrahydropyran 557.95
    tert-amyl methyl ether 165.17
    2,5,8-trioxanonane 439.88
    1-hexene 57.14
    2-isopropoxyethanol 249.54
    2,2,2-trifluoroethanol 153.02
    methyl butyrate 199.02

    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