alpha-AMYLCINNAMYL ALCOHOL

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  • Identifiers

    CAS number
    101-85-9

    Molecular formula
    C14H20O

    SMILES
    CCCCC/C(=C\C1=CC=CC=C1)/CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 86.02%
    Fruity 79.26%
    Sweet 72.76%
    Balsamic 57.93%
    Jasmin 54.66%
    Herbal 48.52%
    Spicy 46.88%
    Green 46.51%
    Rose 44.74%
    Waxy 42.23%

     

    Flavor
    Floral 52.65%
    Green 49.87%
    Herbal 41.42%
    Fresh 40.64%
    Waxy 39.59%
    Balsam 36.37%
    Spicy 31.09%
    Sweet 30.04%
    Jasmin 27.31%
    Woody 25.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.46 (weak base)

    Molecular weight
    204.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 147.18 ˚C est.

    Solubility expt.

    • insoluble in water
    • miscible (in ethanol)

  • Synonyms

    • 2-Benzylidene-1-heptanol
    • Buxinol
    • 1-Heptanol, 2-(phenylmethylene)-
    • 101-85-9
    • (2E)-2-benzylideneheptan-1-ol
    • alpha-Amylcinnamyl alcohol
    • 1-HEPTANOL, 2-BENZYLIDENE-
    • .alpha.-Amylcinnamyl alcohol
    • 2-Pentylcinnamic alcohol
    • 6240Z8QTPR
    • (E)-2-benzylideneheptan-1-ol
    • alpha-Amylcinnamic alcohol
    • 2-Amyl-3-phenyl-2-propen-1-ol
    • DTXSID2049393
    • DTXCID20809658
    • 184900-07-0
    • 2-(Phenylmethylene)-1-heptanol
    • 1-Heptanol, 2-(phenylmethylene)-, (E)-
    • 2-Pentyl-3-phenylprop-2-en-1-ol
    • ALPHA-AMYLCINNAMYL ALCOHOL (USP-RS)
    • ALPHA-AMYLCINNAMYL ALCOHOL [USP-RS]
    • FEMA No. 2065
    • EINECS 202-982-8
    • UNII-DKB52S61GU
    • BRN 3127316
    • 2-Pentyl-3-phenyl-2-propen-1-ol
    • AI3-28807
    • amylcinnamyl alcohol
    • (2E)-2-Pentyl-3-phenyl-2-propen-1-ol
    • ?-Amylcinnamyl Alcohol
    • alpha -Amylcinnamyl alcohol
    • DKB52S61GU
    • UNII-6240Z8QTPR
    • .alpha.-Amylcinnamic alcohol
    • 3-06-00-02542 (Beilstein Handbook Reference)
    • (E)-alpha-amylcinnamyl alcohol
    • ALPHA-AMYLCINNAMYLALCOHOL
    • SCHEMBL1171617
    • DTXSID00859176
    • CHEBI:191587
    • alpha-Amylcinnamyl alcohol, (E)-
    • AMYLCINNAMYL ALCOHOL [INCI]
    • Tox21_202715
    • AKOS024319237
    • (2E)-2-(phenylmethylidene)heptan-1-ol
    • NCGC00260263-01
    • CAS-101-85-9
    • DB-234816
    • .ALPHA.-AMYLCINNAMYL ALCOHOL, (E)-
    • NS00007734
    • alpha-Amylcinnamyl alcohol, analytical standard
    • Q27263433
    • alpha-Amylcinnamylalcohol 2000 microg/mL in Acetonitrile
    • Z235448622
    • alpha-Amylcinnamyl alcohol, United States Pharmacopeia (USP) Reference Standard

  • Applications

    alpha-AMYLCINNAMYL ALCOHOL (CAS 101-85-9) is primarily used as an intermediate and fragrance ingredient in the scent industry, where it can function as a fragrance component or a potential fixative in formulations. It also serves as a precursor to cinnamyl and allyl derivatives for fragrance and cosmetic synthesis. In cosmetics/personal care, it may be employed as a fragrance ingredient in products such as perfumes, cleansers, and shampoos. In household products, it may appear as a fragrance additive in detergents and cleaners. In polymer and coatings applications, it can act as a reactive monomer or crosslinking precursor due to the allyl group, enabling polymerization for coatings, inks, and adhesives. Additionally, it can be explored as a synthetic intermediate for other aroma-related compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7782.12
    methanol 5016.68
    isopropanol 5616.78
    water 0.05
    ethyl acetate 9440.11
    n-propanol 6817.65
    acetone 9577.79
    n-butanol 5640.08
    acetonitrile 5978.1
    DMF 4726.26
    toluene 2125.28
    isobutanol 3959.41
    1,4-dioxane 5766.06
    methyl acetate 5131.44
    THF 6073.34
    2-butanone 6943.57
    n-pentanol 2433.59
    sec-butanol 4234.72
    n-hexane 338.47
    ethylene glycol 340.06
    NMP 1452.71
    cyclohexane 542.98
    DMSO 5801.46
    n-butyl acetate 3618.19
    n-octanol 516.97
    chloroform 6055.83
    n-propyl acetate 2905.05
    acetic acid 1736.25
    dichloromethane 7689.25
    cyclohexanone 4696.32
    propylene glycol 864.17
    isopropyl acetate 3293.15
    DMAc 2259.25
    2-ethoxyethanol 2467.8
    isopentanol 3562.27
    n-heptane 184.67
    ethyl formate 2427.9
    1,2-dichloroethane 6875.65
    n-hexanol 2545.07
    2-methoxyethanol 5516.75
    isobutyl acetate 1280.72
    tetrachloromethane 576.77
    n-pentyl acetate 1086.97
    transcutol 8294.51
    n-heptanol 616.25
    ethylbenzene 681.1
    MIBK 2159.93
    2-propoxyethanol 3026.11
    tert-butanol 4366.94
    MTBE 5158.21
    2-butoxyethanol 1219.69
    propionic acid 2042.92
    o-xylene 641.17
    formic acid 241.29
    diethyl ether 9441.43
    m-xylene 885.88
    p-xylene 595.48
    chlorobenzene 1826.97
    dimethyl carbonate 999.77
    n-octane 58.48
    formamide 774.84
    cyclopentanone 4486.81
    2-pentanone 6858.88
    anisole 1422.93
    cyclopentyl methyl ether 3256.93
    gamma-butyrolactone 3563.06
    1-methoxy-2-propanol 4055.61
    pyridine 4914.9
    3-pentanone 3632.9
    furfural 2134.55
    n-dodecane 34.25
    diethylene glycol 1210.91
    diisopropyl ether 1310.97
    tert-amyl alcohol 2823.55
    acetylacetone 3553.86
    n-hexadecane 40.89
    acetophenone 1046.69
    methyl propionate 4672.91
    isopentyl acetate 2205.49
    trichloroethylene 8307.41
    n-nonanol 435.17
    cyclohexanol 2344.39
    benzyl alcohol 1002.86
    2-ethylhexanol 1173.5
    isooctanol 491.92
    dipropyl ether 2782.6
    1,2-dichlorobenzene 1131.28
    ethyl lactate 533.67
    propylene carbonate 1661.8
    n-methylformamide 2376.24
    2-pentanol 3617.86
    n-pentane 356.56
    1-propoxy-2-propanol 2418.64
    1-methoxy-2-propyl acetate 1941.78
    2-(2-methoxypropoxy) propanol 682.95
    mesitylene 426.73
    ε-caprolactone 2956.75
    p-cymene 285.77
    epichlorohydrin 6200.91
    1,1,1-trichloroethane 3741.93
    2-aminoethanol 1406.35
    morpholine-4-carbaldehyde 2165.25
    sulfolane 2722.17
    2,2,4-trimethylpentane 113.38
    2-methyltetrahydrofuran 5261.07
    n-hexyl acetate 1321.48
    isooctane 109.07
    2-(2-butoxyethoxy)ethanol 1323.47
    sec-butyl acetate 1486.97
    tert-butyl acetate 2103.07
    decalin 149.31
    glycerin 663.08
    diglyme 2938.48
    acrylic acid 1023.76
    isopropyl myristate 376.93
    n-butyric acid 4504.25
    acetyl acetate 1861.22
    di(2-ethylhexyl) phthalate 241.89
    ethyl propionate 2366.13
    nitromethane 3873.88
    1,2-diethoxyethane 3888.2
    benzonitrile 1377.98
    trioctyl phosphate 204.54
    1-bromopropane 4733.32
    gamma-valerolactone 4148.71
    n-decanol 297.83
    triethyl phosphate 357.37
    4-methyl-2-pentanol 1041.68
    propionitrile 4631.22
    vinylene carbonate 1384.33
    1,1,2-trichlorotrifluoroethane 2259.49
    DMS 780.3
    cumene 326.44
    2-octanol 359.5
    2-hexanone 2616.64
    octyl acetate 454.61
    limonene 534.47
    1,2-dimethoxyethane 4483.6
    ethyl orthosilicate 401.58
    tributyl phosphate 285.19
    diacetone alcohol 1859.27
    N,N-dimethylaniline 578.23
    acrylonitrile 3741.64
    aniline 2055.6
    1,3-propanediol 2320.42
    bromobenzene 2025.25
    dibromomethane 5099.01
    1,1,2,2-tetrachloroethane 5851.86
    2-methyl-cyclohexyl acetate 687.17
    tetrabutyl urea 367.18
    diisobutyl methanol 509.85
    2-phenylethanol 989.64
    styrene 1052.4
    dioctyl adipate 477.56
    dimethyl sulfate 910.67
    ethyl butyrate 2065.66
    methyl lactate 851.01
    butyl lactate 607.12
    diethyl carbonate 893.44
    propanediol butyl ether 833.08
    triethyl orthoformate 901.54
    p-tert-butyltoluene 262.6
    methyl 4-tert-butylbenzoate 517.8
    morpholine 8246.56
    tert-butylamine 2721.15
    n-dodecanol 216.22
    dimethoxymethane 5367.14
    ethylene carbonate 1455.93
    cyrene 466.7
    2-ethoxyethyl acetate 1566.56
    2-ethylhexyl acetate 1494.25
    1,2,4-trichlorobenzene 1221.0
    4-methylpyridine 4256.65
    dibutyl ether 1490.43
    2,6-dimethyl-4-heptanol 509.85
    DEF 4255.36
    dimethyl isosorbide 1000.68
    tetrachloroethylene 3377.33
    eugenol 521.68
    triacetin 782.77
    span 80 594.84
    1,4-butanediol 559.96
    1,1-dichloroethane 6542.91
    2-methyl-1-pentanol 1640.13
    methyl formate 1404.33
    2-methyl-1-butanol 3280.42
    n-decane 71.27
    butyronitrile 5291.19
    3,7-dimethyl-1-octanol 584.86
    1-chlorooctane 409.7
    1-chlorotetradecane 117.46
    n-nonane 76.83
    undecane 46.33
    tert-butylcyclohexane 137.64
    cyclooctane 138.2
    cyclopentanol 1838.88
    tetrahydropyran 8724.06
    tert-amyl methyl ether 2345.44
    2,5,8-trioxanonane 1339.99
    1-hexene 2048.67
    2-isopropoxyethanol 1519.64
    2,2,2-trifluoroethanol 278.98
    methyl butyrate 3213.96

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.27 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.64 %
Category 2
Products applied to the axillae
 0.08 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.64 %
Category 3
Products applied to the face/body using fingertips
 0.64 % Category 8
Products with significant anogenital exposure
 0.11 %
Category 4
Products related to fine fragrance
 1.5 % Category 9
Products with body and hand exposure, primarily rinse off
 1.6 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.38 % Category 10A
Household care products with mostly hand contact
 1.6 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.32 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3.5 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.38 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.11 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.11 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.11 %
Category 6
Products with oral and lip exposure
 0.32 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 79 %