(-)-2-Phenylpropanol

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  • Identifiers

    CAS number
    37778-99-7

    Molecular formula
    C9H12O

    SMILES
    C[C@H](CO)C1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 91.24%
    Sweet 72.73%
    Green 72.49%
    Fruity 61.71%
    Rose 58.9%
    Balsamic 55.51%
    Hyacinth 52.44%
    Honey 45.07%
    Spicy 42.07%
    Earthy 37.39%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    225°C

    Flash point est.
    106.73 ˚C

  • Synonyms

    • 37778-99-7
    • (S)-2-Phenylpropan-1-ol
    • (2S)-2-phenylpropan-1-ol
    • (S)-(-)-2-Phenyl-1-propanol
    • (-)-2-Phenylpropanol
    • (S)-2-Phenyl-1-propanol
    • (-)-2-Phenyl-1-propanol
    • 2-Phenyl-1-propanol, (-)-
    • 2(S)-Phenyl-1-propanol
    • UNII-W7Q89429ZO
    • S-(-)-2-Phenyl-1-propanol
    • 2-Phenylpropyl alcohol, (-)-
    • W7Q89429ZO
    • (S)-(-)-2-Phenylpropyl alcohol
    • (S)-2-Phenylpropyl alcohol, (-)-
    • Benzeneethanol, .beta.-methyl-, (S)-
    • 2-Phenyl-1-propanol-, (S)-
    • S-(-)-2-Phenyl-1-propyl alcohol
    • 2-PHENYL-1-PROPANOL, (S)-
    • MFCD00145249
    • (-)-beta-Methylbenzeneethanol
    • Benzeneethanol, beta-methyl-, (S)-
    • 2(S)-phenylpropanol
    • Benzeneethanol, beta-methyl-, (betaS)-
    • SCHEMBL60429
    • (S)-(-)-2-phenylpropanol
    • (S)-(-)-2-Phenyl-propanol
    • AKOS015890811
    • AT25361
    • (-)-.BETA.-METHYLBENZENEETHANOL
    • AS-58042
    • CS-0204249
    • EN300-6507377
    • BENZENEETHANOL, .BETA.-METHYL-, (.BETA.S)-
    • Q27292442
    • (S)-2-Phenyl-1-propanol, purum, >=98.0% (sum of enantiomers, GC)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2677.24
    methanol 824.09
    isopropanol 2203.64
    water 3.59
    ethyl acetate 1251.45
    n-propanol 2133.1
    acetone 1797.56
    n-butanol 1649.51
    acetonitrile 2817.01
    DMF 1718.66
    toluene 314.81
    isobutanol 1365.85
    1,4-dioxane 2481.44
    methyl acetate 1347.53
    THF 2154.15
    2-butanone 1408.02
    n-pentanol 698.69
    sec-butanol 1220.47
    n-hexane 74.77
    ethylene glycol 356.3
    NMP 905.95
    cyclohexane 142.39
    DMSO 2417.41
    n-butyl acetate 979.29
    n-octanol 310.31
    chloroform 2858.88
    n-propyl acetate 675.67
    acetic acid 1201.12
    dichloromethane 3654.64
    cyclohexanone 1428.53
    propylene glycol 466.34
    isopropyl acetate 480.47
    DMAc 684.24
    2-ethoxyethanol 811.04
    isopentanol 896.62
    n-heptane 143.71
    ethyl formate 1265.42
    1,2-dichloroethane 2060.5
    n-hexanol 1109.22
    2-methoxyethanol 1543.44
    isobutyl acetate 315.38
    tetrachloromethane 431.39
    n-pentyl acetate 310.09
    transcutol 1377.98
    n-heptanol 391.58
    ethylbenzene 160.32
    MIBK 426.47
    2-propoxyethanol 1156.0
    tert-butanol 1551.49
    MTBE 892.54
    2-butoxyethanol 503.54
    propionic acid 1252.72
    o-xylene 182.64
    formic acid 264.34
    diethyl ether 1155.22
    m-xylene 203.07
    p-xylene 183.64
    chlorobenzene 546.11
    dimethyl carbonate 278.41
    n-octane 45.89
    formamide 617.87
    cyclopentanone 1641.92
    2-pentanone 1041.59
    anisole 389.51
    cyclopentyl methyl ether 787.27
    gamma-butyrolactone 2076.24
    1-methoxy-2-propanol 1013.49
    pyridine 1302.45
    3-pentanone 639.44
    furfural 1049.68
    n-dodecane 32.97
    diethylene glycol 655.56
    diisopropyl ether 213.97
    tert-amyl alcohol 836.95
    acetylacetone 686.69
    n-hexadecane 37.25
    acetophenone 305.81
    methyl propionate 857.01
    isopentyl acetate 613.26
    trichloroethylene 2758.17
    n-nonanol 239.1
    cyclohexanol 805.28
    benzyl alcohol 297.26
    2-ethylhexanol 490.35
    isooctanol 271.84
    dipropyl ether 758.17
    1,2-dichlorobenzene 417.34
    ethyl lactate 229.42
    propylene carbonate 920.77
    n-methylformamide 1376.91
    2-pentanol 775.59
    n-pentane 103.43
    1-propoxy-2-propanol 811.97
    1-methoxy-2-propyl acetate 538.81
    2-(2-methoxypropoxy) propanol 298.02
    mesitylene 126.97
    ε-caprolactone 1099.79
    p-cymene 145.91
    epichlorohydrin 2298.78
    1,1,1-trichloroethane 1401.46
    2-aminoethanol 802.91
    morpholine-4-carbaldehyde 1021.16
    sulfolane 1559.34
    2,2,4-trimethylpentane 49.52
    2-methyltetrahydrofuran 1654.03
    n-hexyl acetate 399.68
    isooctane 48.3
    2-(2-butoxyethoxy)ethanol 456.87
    sec-butyl acetate 305.1
    tert-butyl acetate 414.75
    decalin 53.87
    glycerin 438.83
    diglyme 982.17
    acrylic acid 765.35
    isopropyl myristate 154.63
    n-butyric acid 1651.66
    acetyl acetate 439.92
    di(2-ethylhexyl) phthalate 124.97
    ethyl propionate 459.88
    nitromethane 2302.73
    1,2-diethoxyethane 690.82
    benzonitrile 506.58
    trioctyl phosphate 117.48
    1-bromopropane 1258.62
    gamma-valerolactone 1639.4
    n-decanol 183.2
    triethyl phosphate 154.53
    4-methyl-2-pentanol 295.37
    propionitrile 1640.9
    vinylene carbonate 794.88
    1,1,2-trichlorotrifluoroethane 832.98
    DMS 246.26
    cumene 111.57
    2-octanol 209.38
    2-hexanone 605.75
    octyl acetate 194.8
    limonene 260.31
    1,2-dimethoxyethane 1203.51
    ethyl orthosilicate 156.94
    tributyl phosphate 133.86
    diacetone alcohol 494.13
    N,N-dimethylaniline 209.83
    acrylonitrile 1628.61
    aniline 488.78
    1,3-propanediol 1187.84
    bromobenzene 547.13
    dibromomethane 2304.92
    1,1,2,2-tetrachloroethane 1689.81
    2-methyl-cyclohexyl acetate 272.3
    tetrabutyl urea 177.98
    diisobutyl methanol 241.41
    2-phenylethanol 342.35
    styrene 222.49
    dioctyl adipate 197.06
    dimethyl sulfate 361.23
    ethyl butyrate 633.11
    methyl lactate 274.92
    butyl lactate 220.48
    diethyl carbonate 312.4
    propanediol butyl ether 366.44
    triethyl orthoformate 309.15
    p-tert-butyltoluene 133.99
    methyl 4-tert-butylbenzoate 276.58
    morpholine 2631.15
    tert-butylamine 934.65
    n-dodecanol 144.59
    dimethoxymethane 952.94
    ethylene carbonate 774.87
    cyrene 271.33
    2-ethoxyethyl acetate 377.81
    2-ethylhexyl acetate 417.72
    1,2,4-trichlorobenzene 428.72
    4-methylpyridine 1030.08
    dibutyl ether 375.3
    2,6-dimethyl-4-heptanol 241.41
    DEF 907.15
    dimethyl isosorbide 477.44
    tetrachloroethylene 1054.4
    eugenol 257.5
    triacetin 275.84
    span 80 292.33
    1,4-butanediol 338.56
    1,1-dichloroethane 2236.52
    2-methyl-1-pentanol 418.82
    methyl formate 1009.39
    2-methyl-1-butanol 865.56
    n-decane 55.16
    butyronitrile 1656.49
    3,7-dimethyl-1-octanol 237.93
    1-chlorooctane 221.39
    1-chlorotetradecane 81.34
    n-nonane 59.63
    undecane 42.07
    tert-butylcyclohexane 57.69
    cyclooctane 48.22
    cyclopentanol 1005.97
    tetrahydropyran 2136.34
    tert-amyl methyl ether 447.04
    2,5,8-trioxanonane 547.46
    1-hexene 331.73
    2-isopropoxyethanol 501.48
    2,2,2-trifluoroethanol 346.48
    methyl butyrate 762.05

    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