1-Ethyl-1-methyl-3-phenylpropyl acetate

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  • Identifiers

    CAS number
    72007-81-9

    Molecular formula
    C14H20O2

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

  • Odor profile

    Floral 92.81%
    Fruity 82.85%
    Sweet 77.29%
    Green 74.18%
    Fresh 65.13%
    Rose 54.34%
    Balsamic 41.64%
    Lily 38.35%
    Jasmin 37.99%
    Honey 37.88%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.63 (weak base)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point est.
    127.53 ˚C

  • Synonyms

    • 72007-81-9
    • 1-Ethyl-1-methyl-3-phenylpropyl acetate
    • (3-methyl-1-phenylpentan-3-yl) acetate
    • 3-methyl-1-phenylpentan-3-yl acetate
    • OX1DN3B7LS
    • 1-Phenyl-3-methyl-3-pentanyl acetate
    • Methylethyl phenylethyl carbinyl acetate
    • Phenethylmethylethylcarbinyl acetate
    • EINECS 276-282-6
    • UNII-OX1DN3B7LS
    • Phenylethyl methylethylcarbinyl acetate
    • Phenylethyl methylethyl carbinyl acetate
    • BRN 3260573
    • 3-Pentanol, 3-methyl-1-phenyl-, acetate
    • alpha-Ethyl-alpha-methylbenzenepropanol acetate
    • DTXSID10888033
    • Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-, 1-acetate
    • 4-06-00-03420 (Beilstein Handbook Reference)
    • Benzenepropanol, alpha-ethyl-alpha-methyl-, 1-acetate
    • tea acetate
    • BETA PHENYL ETHYL METHYL ETHYL CARBINYL ACETATE
    • Benzenepropanol, alpha-ethyl-alpha-methyl-, acetate
    • SCHEMBL873536
    • HIWRBTFSEFIZNE-UHFFFAOYSA-N
    • DTXCID101027315
    • 3-methyl-1-phenylpentan-3-ylacetate
    • (3-methyl-1-phenyl-pentan-3-yl) ethanoate
    • NS00013122
    • A844384
    • acetic acid (3-methyl-1-phenylpentan-3-yl) ester
    • Q27285897
    • Benzenepropanol, .alpha.-ethyl-.alpha.-methyl-, acetate
    • 276-282-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1624.37
    methanol 2068.09
    isopropanol 1078.31
    water 2.29
    ethyl acetate 992.74
    n-propanol 1213.4
    acetone 1197.76
    n-butanol 1000.71
    acetonitrile 876.02
    DMF 1597.91
    toluene 448.9
    isobutanol 827.54
    1,4-dioxane 2170.55
    methyl acetate 912.69
    THF 1611.0
    2-butanone 901.87
    n-pentanol 763.45
    sec-butanol 891.98
    n-hexane 168.85
    ethylene glycol 275.96
    NMP 896.8
    cyclohexane 152.87
    DMSO 1225.65
    n-butyl acetate 623.56
    n-octanol 258.2
    chloroform 2840.85
    n-propyl acetate 476.52
    acetic acid 821.9
    dichloromethane 2154.92
    cyclohexanone 1157.62
    propylene glycol 460.35
    isopropyl acetate 622.31
    DMAc 1552.99
    2-ethoxyethanol 922.94
    isopentanol 829.89
    n-heptane 45.46
    ethyl formate 456.58
    1,2-dichloroethane 1360.06
    n-hexanol 736.16
    2-methoxyethanol 1369.25
    isobutyl acetate 379.8
    tetrachloromethane 266.82
    n-pentyl acetate 317.87
    transcutol 2412.81
    n-heptanol 225.01
    ethylbenzene 267.31
    MIBK 472.81
    2-propoxyethanol 1083.79
    tert-butanol 1190.15
    MTBE 1095.93
    2-butoxyethanol 420.46
    propionic acid 705.44
    o-xylene 253.41
    formic acid 325.46
    diethyl ether 1311.1
    m-xylene 289.39
    p-xylene 320.01
    chlorobenzene 590.58
    dimethyl carbonate 303.17
    n-octane 22.93
    formamide 418.86
    cyclopentanone 925.85
    2-pentanone 735.35
    anisole 575.53
    cyclopentyl methyl ether 777.92
    gamma-butyrolactone 981.92
    1-methoxy-2-propanol 939.31
    pyridine 949.58
    3-pentanone 609.27
    furfural 816.47
    n-dodecane 21.48
    diethylene glycol 727.86
    diisopropyl ether 282.71
    tert-amyl alcohol 885.83
    acetylacetone 740.56
    n-hexadecane 24.63
    acetophenone 423.87
    methyl propionate 675.3
    isopentyl acetate 574.42
    trichloroethylene 1931.56
    n-nonanol 228.31
    cyclohexanol 720.68
    benzyl alcohol 432.17
    2-ethylhexanol 339.63
    isooctanol 180.21
    dipropyl ether 396.49
    1,2-dichlorobenzene 508.65
    ethyl lactate 227.66
    propylene carbonate 572.65
    n-methylformamide 625.38
    2-pentanol 554.7
    n-pentane 89.77
    1-propoxy-2-propanol 624.65
    1-methoxy-2-propyl acetate 618.71
    2-(2-methoxypropoxy) propanol 466.07
    mesitylene 173.07
    ε-caprolactone 923.69
    p-cymene 118.52
    epichlorohydrin 1341.65
    1,1,1-trichloroethane 1087.07
    2-aminoethanol 619.27
    morpholine-4-carbaldehyde 1210.03
    sulfolane 974.92
    2,2,4-trimethylpentane 52.13
    2-methyltetrahydrofuran 1179.64
    n-hexyl acetate 532.83
    isooctane 38.0
    2-(2-butoxyethoxy)ethanol 677.3
    sec-butyl acetate 370.31
    tert-butyl acetate 619.62
    decalin 92.96
    glycerin 485.97
    diglyme 1110.47
    acrylic acid 477.69
    isopropyl myristate 185.43
    n-butyric acid 862.11
    acetyl acetate 547.49
    di(2-ethylhexyl) phthalate 187.21
    ethyl propionate 427.58
    nitromethane 1081.7
    1,2-diethoxyethane 806.18
    benzonitrile 483.78
    trioctyl phosphate 123.89
    1-bromopropane 909.9
    gamma-valerolactone 1308.58
    n-decanol 168.27
    triethyl phosphate 174.24
    4-methyl-2-pentanol 319.54
    propionitrile 701.92
    vinylene carbonate 560.67
    1,1,2-trichlorotrifluoroethane 847.27
    DMS 448.74
    cumene 184.48
    2-octanol 157.31
    2-hexanone 561.51
    octyl acetate 235.63
    limonene 193.14
    1,2-dimethoxyethane 1402.12
    ethyl orthosilicate 183.77
    tributyl phosphate 180.72
    diacetone alcohol 589.42
    N,N-dimethylaniline 357.97
    acrylonitrile 666.89
    aniline 524.03
    1,3-propanediol 759.66
    bromobenzene 638.59
    dibromomethane 1459.46
    1,1,2,2-tetrachloroethane 1903.9
    2-methyl-cyclohexyl acetate 321.53
    tetrabutyl urea 219.58
    diisobutyl methanol 157.0
    2-phenylethanol 430.41
    styrene 336.51
    dioctyl adipate 262.44
    dimethyl sulfate 425.91
    ethyl butyrate 356.48
    methyl lactate 312.7
    butyl lactate 251.58
    diethyl carbonate 249.33
    propanediol butyl ether 437.2
    triethyl orthoformate 257.8
    p-tert-butyltoluene 124.13
    methyl 4-tert-butylbenzoate 338.26
    morpholine 2211.71
    tert-butylamine 713.77
    n-dodecanol 125.37
    dimethoxymethane 971.55
    ethylene carbonate 537.89
    cyrene 357.29
    2-ethoxyethyl acetate 473.28
    2-ethylhexyl acetate 444.61
    1,2,4-trichlorobenzene 576.19
    4-methylpyridine 945.46
    dibutyl ether 387.26
    2,6-dimethyl-4-heptanol 157.0
    DEF 822.61
    dimethyl isosorbide 624.87
    tetrachloroethylene 1068.55
    eugenol 334.57
    triacetin 451.21
    span 80 384.23
    1,4-butanediol 357.56
    1,1-dichloroethane 1363.46
    2-methyl-1-pentanol 627.63
    methyl formate 443.01
    2-methyl-1-butanol 787.88
    n-decane 37.16
    butyronitrile 741.57
    3,7-dimethyl-1-octanol 263.96
    1-chlorooctane 183.51
    1-chlorotetradecane 69.53
    n-nonane 36.88
    undecane 27.41
    tert-butylcyclohexane 88.99
    cyclooctane 42.89
    cyclopentanol 586.09
    tetrahydropyran 1689.14
    tert-amyl methyl ether 702.19
    2,5,8-trioxanonane 752.16
    1-hexene 580.75
    2-isopropoxyethanol 617.83
    2,2,2-trifluoroethanol 247.69
    methyl butyrate 542.68

    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