1-Phenyl-3-acetoxybutane

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10415-88-0

    Molecular formula
    C12H16O2

    SMILES
    CC(CCC1=CC=CC=C1)OC(=O)C

  • Odor profile

    Fruity 80.11%
    Floral 79.85%
    Green 76.95%
    Sweet 72.1%
    Fresh 51.73%
    Balsamic 45.09%
    Herbal 42.34%
    Hyacinth 38.49%
    Jasmin 37.84%
    Rose 37.83%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.68 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point est.
    118.71 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 4-Phenyl-2-butyl acetate
    • 4-phenylbutan-2-yl acetate
    • 10415-88-0
    • 1-Phenyl-3-acetoxybutane
    • 2-Butanol, 4-phenyl-, acetate
    • 4-Phenyl-2-butanol acetate
    • alpha-Methylbenzenepropanol acetate
    • Benzenepropanol, .alpha.-methyl-, acetate
    • FEMA No. 2882
    • 1-Methyl-3-phenylpropyl acetate
    • Phenylethyl methyl carbinyl acetate
    • 4-Phenylbut-2-yl acetate
    • Benzenepropanol, alpha-methyl-, acetate
    • 7BV1134YBV
    • Benzenepropanol, alpha-methyl-, 1-acetate
    • EINECS 233-890-6
    • Benzenepropanol, .alpha.-methyl-, 1-acetate
    • DTXSID20864267
    • Phenylpropanol, .alpha.-methyl, acetate
    • 4-PHENYL-2-BUTYL ACETATE [FHFI]
    • (+/-)-4-PHENYL-2-BUTYL ACETATE
    • UNII-7BV1134YBV
    • 2-acetoxy-4-phenylbutane
    • 4-phenylbutan-2-ylacetate
    • SCHEMBL1532473
    • FEMA 2882
    • DTXCID90215080
    • CHEBI:179908
    • (+/-)-4-phenylbut-2-yl acetate
    • 1-Methyl-3-phenylpropyl acetate #
    • AKOS024318876
    • CH3C(O)OCH(CH3)CH2CH2C6H5
    • NS00052170
    • Q27268027

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 704.15
    methanol 954.36
    isopropanol 407.84
    water 1.8
    ethyl acetate 369.59
    n-propanol 455.74
    acetone 813.41
    n-butanol 381.12
    acetonitrile 492.32
    DMF 1129.62
    toluene 149.59
    isobutanol 287.38
    1,4-dioxane 941.79
    methyl acetate 414.07
    THF 826.76
    2-butanone 451.67
    n-pentanol 313.54
    sec-butanol 297.2
    n-hexane 42.3
    ethylene glycol 205.8
    NMP 682.26
    cyclohexane 28.28
    DMSO 1404.43
    n-butyl acetate 250.45
    n-octanol 94.05
    chloroform 1303.98
    n-propyl acetate 199.11
    acetic acid 590.73
    dichloromethane 1101.67
    cyclohexanone 523.75
    propylene glycol 278.81
    isopropyl acetate 212.24
    DMAc 1053.13
    2-ethoxyethanol 492.48
    isopentanol 326.44
    n-heptane 12.05
    ethyl formate 185.09
    1,2-dichloroethane 695.02
    n-hexanol 247.99
    2-methoxyethanol 793.15
    isobutyl acetate 152.86
    tetrachloromethane 95.77
    n-pentyl acetate 119.36
    transcutol 1865.03
    n-heptanol 77.84
    ethylbenzene 86.27
    MIBK 214.3
    2-propoxyethanol 490.76
    tert-butanol 471.24
    MTBE 385.51
    2-butoxyethanol 188.85
    propionic acid 389.79
    o-xylene 94.0
    formic acid 257.27
    diethyl ether 464.9
    m-xylene 103.55
    p-xylene 107.51
    chlorobenzene 263.18
    dimethyl carbonate 159.0
    n-octane 5.58
    formamide 332.93
    cyclopentanone 582.23
    2-pentanone 332.41
    anisole 270.75
    cyclopentyl methyl ether 366.46
    gamma-butyrolactone 608.72
    1-methoxy-2-propanol 524.47
    pyridine 478.35
    3-pentanone 273.93
    furfural 521.64
    n-dodecane 6.36
    diethylene glycol 421.91
    diisopropyl ether 92.53
    tert-amyl alcohol 327.98
    acetylacetone 406.24
    n-hexadecane 7.37
    acetophenone 208.13
    methyl propionate 324.35
    isopentyl acetate 234.08
    trichloroethylene 1088.52
    n-nonanol 83.73
    cyclohexanol 258.77
    benzyl alcohol 208.28
    2-ethylhexanol 128.17
    isooctanol 66.34
    dipropyl ether 149.0
    1,2-dichlorobenzene 242.62
    ethyl lactate 118.58
    propylene carbonate 301.11
    n-methylformamide 423.43
    2-pentanol 198.07
    n-pentane 20.12
    1-propoxy-2-propanol 290.72
    1-methoxy-2-propyl acetate 294.38
    2-(2-methoxypropoxy) propanol 269.86
    mesitylene 65.65
    ε-caprolactone 412.86
    p-cymene 50.64
    epichlorohydrin 819.67
    1,1,1-trichloroethane 468.53
    2-aminoethanol 363.84
    morpholine-4-carbaldehyde 726.48
    sulfolane 787.78
    2,2,4-trimethylpentane 16.22
    2-methyltetrahydrofuran 550.27
    n-hexyl acetate 218.62
    isooctane 11.87
    2-(2-butoxyethoxy)ethanol 382.37
    sec-butyl acetate 144.67
    tert-butyl acetate 272.14
    decalin 27.77
    glycerin 355.23
    diglyme 644.34
    acrylic acid 324.65
    isopropyl myristate 78.48
    n-butyric acid 398.0
    acetyl acetate 228.86
    di(2-ethylhexyl) phthalate 94.71
    ethyl propionate 177.11
    nitromethane 860.33
    1,2-diethoxyethane 405.47
    benzonitrile 231.52
    trioctyl phosphate 56.62
    1-bromopropane 350.94
    gamma-valerolactone 755.02
    n-decanol 62.18
    triethyl phosphate 93.54
    4-methyl-2-pentanol 119.54
    propionitrile 314.64
    vinylene carbonate 291.52
    1,1,2-trichlorotrifluoroethane 557.09
    DMS 228.8
    cumene 66.28
    2-octanol 51.74
    2-hexanone 251.42
    octyl acetate 102.08
    limonene 79.07
    1,2-dimethoxyethane 702.28
    ethyl orthosilicate 94.37
    tributyl phosphate 89.51
    diacetone alcohol 315.65
    N,N-dimethylaniline 170.45
    acrylonitrile 370.22
    aniline 253.2
    1,3-propanediol 399.37
    bromobenzene 273.08
    dibromomethane 679.56
    1,1,2,2-tetrachloroethane 985.38
    2-methyl-cyclohexyl acetate 154.87
    tetrabutyl urea 113.89
    diisobutyl methanol 68.18
    2-phenylethanol 185.65
    styrene 118.78
    dioctyl adipate 132.47
    dimethyl sulfate 289.94
    ethyl butyrate 154.18
    methyl lactate 183.53
    butyl lactate 125.68
    diethyl carbonate 120.3
    propanediol butyl ether 238.29
    triethyl orthoformate 124.39
    p-tert-butyltoluene 52.36
    methyl 4-tert-butylbenzoate 174.18
    morpholine 1006.5
    tert-butylamine 255.73
    n-dodecanol 47.44
    dimethoxymethane 534.12
    ethylene carbonate 247.93
    cyrene 230.69
    2-ethoxyethyl acetate 232.17
    2-ethylhexyl acetate 177.78
    1,2,4-trichlorobenzene 295.06
    4-methylpyridine 441.83
    dibutyl ether 147.18
    2,6-dimethyl-4-heptanol 68.18
    DEF 413.49
    dimethyl isosorbide 379.79
    tetrachloroethylene 522.28
    eugenol 184.43
    triacetin 248.42
    span 80 206.2
    1,4-butanediol 194.11
    1,1-dichloroethane 620.32
    2-methyl-1-pentanol 248.04
    methyl formate 263.0
    2-methyl-1-butanol 292.01
    n-decane 10.28
    butyronitrile 318.2
    3,7-dimethyl-1-octanol 103.75
    1-chlorooctane 60.31
    1-chlorotetradecane 24.63
    n-nonane 9.68
    undecane 7.82
    tert-butylcyclohexane 28.58
    cyclooctane 9.17
    cyclopentanol 256.26
    tetrahydropyran 617.45
    tert-amyl methyl ether 263.34
    2,5,8-trioxanonane 457.72
    1-hexene 177.8
    2-isopropoxyethanol 307.13
    2,2,2-trifluoroethanol 170.18
    methyl butyrate 229.73

    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

Botanical

Name CAS Botanical Proportion
Elsholtzia incisa Elsholtzia incisa Benth, fam. Lamiaceae (Labiatae) 1.24%