Benzenepropanol, alpha-ethenyl-alpha-methyl-

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  • Identifiers

    CAS number
    55066-45-0

    Molecular formula
    C12H16O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 91.17%
    Sweet 77.97%
    Balsamic 57.59%
    Rose 56.73%
    Fresh 51.2%
    Green 48.38%
    Fruity 44.04%
    Woody 43.31%
    Lily 41.61%
    Honey 38.03%

     

    Flavor
    Floral 78.01%
    Green 74.99%
    Sweet 70.47%
    Fresh 40.42%
    Tropical 36.14%
    Rose 36.14%
    Woody 35.44%
    Hyacinth 35.2%
    Flower 33.96%
    Balsam 31.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.87 (weak base)

    Molecular weight
    176.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 118.03 ˚C est.

  • Synonyms

    • 55066-45-0
    • EINECS 259-460-8
    • Benzenepropanol, .alpha.-ethenyl-.alpha.-methyl-
    • Benzenepropanol, alpha-ethenyl-alpha-methyl-
    • DTXSID20886126
    • RefChem:563665
    • DTXCID901025468
    • 3-Methyl-5-phenylpent-1-en-3-ol
    • 3-methyl-5-phenyl-pent-1-en-3-ol
    • SCHEMBL1195484
    • SCHEMBL11660253
    • UWRYPWSHHZVMHR-UHFFFAOYSA-N
    • DB-324599
    • NS00059097
    • 55066-45-0

  • Applications

    Primarily used as an intermediate in the synthesis of fragrance ingredients and specialty polymers; the vinyl functionality enables participation in polymerization and crosslinking in coatings, adhesives, and inks; it is also used as a fragrance precursor in perfumery and may be employed in cosmetics and personal care products subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 737.21
    methanol 658.0
    isopropanol 453.48
    water 0.61
    ethyl acetate 857.28
    n-propanol 536.51
    acetone 196.85
    n-butanol 492.99
    acetonitrile 340.29
    DMF 131.01
    toluene 154.68
    isobutanol 248.91
    1,4-dioxane 1130.62
    methyl acetate 496.79
    THF 681.95
    2-butanone 419.22
    n-pentanol 330.6
    sec-butanol 376.58
    n-hexane 59.13
    ethylene glycol 92.34
    NMP 55.15
    cyclohexane 53.04
    DMSO 201.24
    n-butyl acetate 405.23
    n-octanol 125.1
    chloroform 542.92
    n-propyl acetate 297.48
    acetic acid 195.11
    dichloromethane 360.91
    cyclohexanone 239.21
    propylene glycol 215.5
    isopropyl acetate 358.78
    DMAc 260.28
    2-ethoxyethanol 547.93
    isopentanol 340.47
    n-heptane 51.45
    ethyl formate 199.99
    1,2-dichloroethane 256.63
    n-hexanol 452.6
    2-methoxyethanol 720.76
    isobutyl acetate 200.85
    tetrachloromethane 56.55
    n-pentyl acetate 130.71
    transcutol 1759.63
    n-heptanol 138.9
    ethylbenzene 104.63
    MIBK 214.53
    2-propoxyethanol 683.86
    tert-butanol 461.21
    MTBE 571.06
    2-butoxyethanol 257.66
    propionic acid 250.88
    o-xylene 90.81
    formic acid 70.43
    diethyl ether 880.17
    m-xylene 108.14
    p-xylene 101.71
    chlorobenzene 126.15
    dimethyl carbonate 108.52
    n-octane 17.28
    formamide 114.24
    cyclopentanone 175.26
    2-pentanone 314.68
    anisole 264.3
    cyclopentyl methyl ether 279.63
    gamma-butyrolactone 208.0
    1-methoxy-2-propanol 563.27
    pyridine 370.25
    3-pentanone 255.78
    furfural 211.51
    n-dodecane 13.08
    diethylene glycol 385.98
    diisopropyl ether 207.54
    tert-amyl alcohol 360.66
    acetylacetone 248.39
    n-hexadecane 14.37
    acetophenone 160.53
    methyl propionate 386.68
    isopentyl acetate 323.57
    trichloroethylene 398.62
    n-nonanol 116.02
    cyclohexanol 201.35
    benzyl alcohol 165.06
    2-ethylhexanol 232.26
    isooctanol 105.98
    dipropyl ether 418.78
    1,2-dichlorobenzene 106.89
    ethyl lactate 115.04
    propylene carbonate 156.0
    n-methylformamide 132.89
    2-pentanol 334.01
    n-pentane 47.7
    1-propoxy-2-propanol 473.44
    1-methoxy-2-propyl acetate 384.62
    2-(2-methoxypropoxy) propanol 272.15
    mesitylene 70.36
    ε-caprolactone 253.74
    p-cymene 66.96
    epichlorohydrin 391.47
    1,1,1-trichloroethane 203.45
    2-aminoethanol 244.44
    morpholine-4-carbaldehyde 303.62
    sulfolane 143.32
    2,2,4-trimethylpentane 27.33
    2-methyltetrahydrofuran 444.78
    n-hexyl acetate 200.5
    isooctane 25.7
    2-(2-butoxyethoxy)ethanol 414.82
    sec-butyl acetate 238.22
    tert-butyl acetate 321.47
    decalin 35.98
    glycerin 207.38
    diglyme 686.63
    acrylic acid 140.21
    isopropyl myristate 94.51
    n-butyric acid 382.01
    acetyl acetate 250.77
    di(2-ethylhexyl) phthalate 81.82
    ethyl propionate 284.75
    nitromethane 247.46
    1,2-diethoxyethane 649.88
    benzonitrile 139.45
    trioctyl phosphate 52.57
    1-bromopropane 235.41
    gamma-valerolactone 354.14
    n-decanol 88.02
    triethyl phosphate 99.44
    4-methyl-2-pentanol 192.09
    propionitrile 337.83
    vinylene carbonate 146.31
    1,1,2-trichlorotrifluoroethane 230.74
    DMS 162.43
    cumene 75.8
    2-octanol 82.72
    2-hexanone 246.34
    octyl acetate 105.25
    limonene 97.72
    1,2-dimethoxyethane 727.67
    ethyl orthosilicate 112.2
    tributyl phosphate 75.16
    diacetone alcohol 292.68
    N,N-dimethylaniline 143.1
    acrylonitrile 259.0
    aniline 182.0
    1,3-propanediol 370.84
    bromobenzene 121.61
    dibromomethane 265.24
    1,1,2,2-tetrachloroethane 373.68
    2-methyl-cyclohexyl acetate 174.64
    tetrabutyl urea 88.07
    diisobutyl methanol 138.26
    2-phenylethanol 208.48
    styrene 123.31
    dioctyl adipate 121.48
    dimethyl sulfate 92.56
    ethyl butyrate 295.65
    methyl lactate 138.09
    butyl lactate 111.68
    diethyl carbonate 176.83
    propanediol butyl ether 207.03
    triethyl orthoformate 201.95
    p-tert-butyltoluene 71.03
    methyl 4-tert-butylbenzoate 145.3
    morpholine 1066.17
    tert-butylamine 302.9
    n-dodecanol 69.4
    dimethoxymethane 372.6
    ethylene carbonate 152.07
    cyrene 138.7
    2-ethoxyethyl acetate 241.54
    2-ethylhexyl acetate 243.47
    1,2,4-trichlorobenzene 121.62
    4-methylpyridine 263.95
    dibutyl ether 240.17
    2,6-dimethyl-4-heptanol 138.26
    DEF 257.54
    dimethyl isosorbide 353.43
    tetrachloroethylene 226.73
    eugenol 147.93
    triacetin 191.52
    span 80 206.47
    1,4-butanediol 138.81
    1,1-dichloroethane 269.97
    2-methyl-1-pentanol 254.1
    methyl formate 82.25
    2-methyl-1-butanol 275.44
    n-decane 23.47
    butyronitrile 337.01
    3,7-dimethyl-1-octanol 148.61
    1-chlorooctane 77.96
    1-chlorotetradecane 32.55
    n-nonane 23.07
    undecane 16.61
    tert-butylcyclohexane 39.68
    cyclooctane 23.07
    cyclopentanol 136.1
    tetrahydropyran 756.97
    tert-amyl methyl ether 364.31
    2,5,8-trioxanonane 453.53
    1-hexene 227.8
    2-isopropoxyethanol 375.87
    2,2,2-trifluoroethanol 49.04
    methyl butyrate 289.54

    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