Allyl phenylacetate

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  • Identifiers

    CAS number
    1797-74-6

    Molecular formula
    C11H12O2

    SMILES
    C=CCOC(=O)CC1=CC=CC=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fruity 86.68%
    Sweet 86.3%
    Honey 64.32%
    Floral 58.65%
    Balsamic 54.49%
    Pineapple 51.4%
    Spicy 44.99%
    Rose 44.37%
    Cocoa 41.09%
    Cinnamon 37.48%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 239.00 to 240.00 °C. @ 760.00 mm Hg

    Flash point est.
    117.07 ˚C

  • Synonyms

    • Allyl phenylacetate
    • 1797-74-6
    • 2-Propenyl phenylacetate
    • Phenylacetic acid allyl ester
    • prop-2-enyl 2-phenylacetate
    • Benzeneacetic acid, 2-propen-1-yl ester
    • Benzeneacetic acid, 2-propenyl ester
    • Allyl alpha-toluate
    • 2-Propenyl benzeneacetate
    • ACETIC ACID, PHENYL-, ALLYL ESTER
    • FEMA No. 2039
    • allyl 2-phenylacetate
    • NSC 6574
    • EINECS 217-281-2
    • 3D2NBC7K7Q
    • BRN 1867491
    • AI3-22225
    • NSC-6574
    • ALLYL .ALPHA.-TOLUATE
    • DTXSID8061977
    • prop-2-en-1-yl 2-phenylacetate
    • ALLYL PHENYLACETATE [FHFI]
    • 3-09-00-02181 (Beilstein Handbook Reference)
    • allyl phenyl acetate
    • UNII-3D2NBC7K7Q
    • MFCD00048176
    • WLN: 1U2OV1R
    • SCHEMBL203679
    • Allyl Phenylacetate, >/=98%
    • DTXCID4035706
    • NSC6574
    • CHEBI:168585
    • 2- PROPENYL BENZENEACETATE
    • Allyl phenylacetate, >=99%, FG
    • AKOS015914259
    • Allyl phenylacetate, analytical standard
    • AS-80590
    • DB-044376
    • CS-0377996
    • NS00011952
    • P0901
    • A50728
    • Q27257052
    • 217-281-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 264.33
    methanol 330.8
    isopropanol 145.22
    water 0.35
    ethyl acetate 175.76
    n-propanol 166.83
    acetone 261.06
    n-butanol 141.83
    acetonitrile 175.52
    DMF 549.84
    toluene 51.71
    isobutanol 105.93
    1,4-dioxane 370.2
    methyl acetate 203.8
    THF 336.58
    2-butanone 211.6
    n-pentanol 122.93
    sec-butanol 117.89
    n-hexane 7.82
    ethylene glycol 77.01
    NMP 236.92
    cyclohexane 10.39
    DMSO 576.42
    n-butyl acetate 139.36
    n-octanol 55.28
    chloroform 455.89
    n-propyl acetate 119.39
    acetic acid 230.51
    dichloromethane 374.88
    cyclohexanone 216.68
    propylene glycol 112.93
    isopropyl acetate 96.94
    DMAc 511.91
    2-ethoxyethanol 213.82
    isopentanol 122.72
    n-heptane 6.61
    ethyl formate 111.16
    1,2-dichloroethane 286.7
    n-hexanol 127.62
    2-methoxyethanol 323.23
    isobutyl acetate 86.48
    tetrachloromethane 19.56
    n-pentyl acetate 59.43
    transcutol 845.82
    n-heptanol 46.26
    ethylbenzene 55.63
    MIBK 103.52
    2-propoxyethanol 224.27
    tert-butanol 177.74
    MTBE 125.13
    2-butoxyethanol 106.85
    propionic acid 147.17
    o-xylene 46.88
    formic acid 69.4
    diethyl ether 135.53
    m-xylene 45.63
    p-xylene 64.92
    chlorobenzene 111.26
    dimethyl carbonate 91.84
    n-octane 3.87
    formamide 118.35
    cyclopentanone 255.12
    2-pentanone 136.9
    anisole 157.57
    cyclopentyl methyl ether 112.32
    gamma-butyrolactone 264.08
    1-methoxy-2-propanol 231.23
    pyridine 233.94
    3-pentanone 118.45
    furfural 262.98
    n-dodecane 5.52
    diethylene glycol 196.63
    diisopropyl ether 36.7
    tert-amyl alcohol 137.58
    acetylacetone 188.22
    n-hexadecane 6.13
    acetophenone 137.15
    methyl propionate 147.94
    isopentyl acetate 125.27
    trichloroethylene 474.43
    n-nonanol 52.26
    cyclohexanol 92.21
    benzyl alcohol 117.26
    2-ethylhexanol 75.09
    isooctanol 42.13
    dipropyl ether 74.42
    1,2-dichlorobenzene 119.36
    ethyl lactate 78.59
    propylene carbonate 159.27
    n-methylformamide 167.06
    2-pentanol 86.12
    n-pentane 4.67
    1-propoxy-2-propanol 152.65
    1-methoxy-2-propyl acetate 149.86
    2-(2-methoxypropoxy) propanol 171.06
    mesitylene 32.36
    ε-caprolactone 165.24
    p-cymene 34.76
    epichlorohydrin 335.73
    1,1,1-trichloroethane 161.82
    2-aminoethanol 136.13
    morpholine-4-carbaldehyde 293.24
    sulfolane 316.15
    2,2,4-trimethylpentane 6.94
    2-methyltetrahydrofuran 182.64
    n-hexyl acetate 104.87
    isooctane 5.97
    2-(2-butoxyethoxy)ethanol 212.95
    sec-butyl acetate 88.51
    tert-butyl acetate 113.73
    decalin 13.23
    glycerin 138.1
    diglyme 376.56
    acrylic acid 139.15
    isopropyl myristate 49.53
    n-butyric acid 177.65
    acetyl acetate 123.42
    di(2-ethylhexyl) phthalate 56.17
    ethyl propionate 109.58
    nitromethane 364.14
    1,2-diethoxyethane 185.12
    benzonitrile 125.41
    trioctyl phosphate 35.68
    1-bromopropane 120.3
    gamma-valerolactone 300.17
    n-decanol 41.54
    triethyl phosphate 61.39
    4-methyl-2-pentanol 60.32
    propionitrile 143.71
    vinylene carbonate 159.69
    1,1,2-trichlorotrifluoroethane 249.42
    DMS 124.45
    cumene 43.1
    2-octanol 31.42
    2-hexanone 130.32
    octyl acetate 60.07
    limonene 48.11
    1,2-dimethoxyethane 330.82
    ethyl orthosilicate 56.43
    tributyl phosphate 49.32
    diacetone alcohol 156.42
    N,N-dimethylaniline 102.39
    acrylonitrile 190.95
    aniline 95.98
    1,3-propanediol 162.08
    bromobenzene 109.81
    dibromomethane 231.68
    1,1,2,2-tetrachloroethane 421.57
    2-methyl-cyclohexyl acetate 91.18
    tetrabutyl urea 68.7
    diisobutyl methanol 45.17
    2-phenylethanol 105.11
    styrene 78.34
    dioctyl adipate 83.63
    dimethyl sulfate 149.33
    ethyl butyrate 109.01
    methyl lactate 101.7
    butyl lactate 70.09
    diethyl carbonate 88.79
    propanediol butyl ether 118.58
    triethyl orthoformate 78.09
    p-tert-butyltoluene 32.74
    methyl 4-tert-butylbenzoate 110.32
    morpholine 363.45
    tert-butylamine 89.66
    n-dodecanol 33.74
    dimethoxymethane 250.74
    ethylene carbonate 121.88
    cyrene 122.09
    2-ethoxyethyl acetate 107.43
    2-ethylhexyl acetate 93.73
    1,2,4-trichlorobenzene 137.34
    4-methylpyridine 177.76
    dibutyl ether 75.48
    2,6-dimethyl-4-heptanol 45.17
    DEF 187.31
    dimethyl isosorbide 212.62
    tetrachloroethylene 203.0
    eugenol 120.13
    triacetin 128.88
    span 80 112.91
    1,4-butanediol 73.64
    1,1-dichloroethane 211.14
    2-methyl-1-pentanol 114.44
    methyl formate 134.34
    2-methyl-1-butanol 107.63
    n-decane 7.66
    butyronitrile 126.82
    3,7-dimethyl-1-octanol 64.81
    1-chlorooctane 36.07
    1-chlorotetradecane 18.6
    n-nonane 6.62
    undecane 6.33
    tert-butylcyclohexane 13.71
    cyclooctane 3.44
    cyclopentanol 89.62
    tetrahydropyran 227.55
    tert-amyl methyl ether 96.33
    2,5,8-trioxanonane 284.14
    1-hexene 55.48
    2-isopropoxyethanol 140.0
    2,2,2-trifluoroethanol 60.63
    methyl butyrate 148.19

    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