2-Methyl 5-phenylpentanol

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  • Identifiers

    CAS number
    25634-93-9

    Molecular formula
    C12H18O

    SMILES
    CC(CCCC1=CC=CC=C1)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 76.91%
    Rose 53.81%
    Green 50.61%
    Fruity 47.43%
    Sweet 46.36%
    Balsamic 44.86%
    Waxy 41.09%
    Citrus 40.04%
    Fresh 34.29%
    Herbal 33.68%

     

    Flavor
    Green 63.49%
    Floral 60.58%
    Sweet 55.39%
    Fresh 43.89%
    Rose 43.53%
    Waxy 36.84%
    Earthy 35.85%
    Spicy 34.72%
    Balsam 34.39%
    Herbal 33.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.89 (neutral)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    270°C

    Flash point

    • 130.01 ˚C est.

  • Synonyms

    • 2-Methyl-5-phenylpentanol
    • 2-Methyl-5-phenylpentan-1-ol
    • Rosaphen
    • 25634-93-9
    • 2-methyl-5-phenyl-1-pentanol
    • 2-Methyl 5-phenylpentanol
    • 2BH2T7C3MX
    • Benzenepentanol, beta-methyl-
    • Benzenepentanol, .beta.-methyl-
    • ROSAPHEN 600064
    • DTXSID70885306
    • EC 405-890-8
    • 1-PENTANOL, 2-METHYL-5-PHENYL-
    • UNII-2BH2T7C3MX
    • 2-Methyl-5-phenyl-pentanol
    • SCHEMBL111796
    • DTXCID101024692
    • AKOS013992999
    • 2-METHYL 5-PHENYLPENTANOL [INCI]
    • NS00007749
    • Q27254526
    • 405-890-8
    • 687-586-7

  • Applications

    2-Methyl 5-phenylpentanol, CAS 25634-93-9, is mainly used as an intermediate in the synthesis of fragrance compounds and aroma esters. In perfumery and cosmetics, it can function as a fragrance ingredient or be converted to esters and other derivatives to modulate scent profiles. It also serves as a building block in the flavor and household product sectors, contributing to aroma formulations and odorant additives in consumer products such as cleaners and coatings. In broader industrial manufacturing, it is handled as a chemical intermediate for the production of specialty fragrance-related materials, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9412.84
    methanol 10260.57
    isopropanol 5620.27
    water 0.5
    ethyl acetate 13832.09
    n-propanol 6800.36
    acetone 6505.55
    n-butanol 5728.03
    acetonitrile 7306.36
    DMF 2127.49
    toluene 1254.87
    isobutanol 3519.76
    1,4-dioxane 9169.55
    methyl acetate 5822.01
    THF 5752.06
    2-butanone 4895.31
    n-pentanol 3208.35
    sec-butanol 3160.45
    n-hexane 386.24
    ethylene glycol 651.56
    NMP 509.11
    cyclohexane 478.28
    DMSO 3909.26
    n-butyl acetate 4729.39
    n-octanol 443.0
    chloroform 4644.06
    n-propyl acetate 4449.92
    acetic acid 3348.53
    dichloromethane 4774.36
    cyclohexanone 3377.43
    propylene glycol 1027.64
    isopropyl acetate 5097.97
    DMAc 1249.59
    2-ethoxyethanol 4887.16
    isopentanol 4175.57
    n-heptane 205.82
    ethyl formate 3434.79
    1,2-dichloroethane 4853.59
    n-hexanol 3147.71
    2-methoxyethanol 7796.31
    isobutyl acetate 1757.23
    tetrachloromethane 571.41
    n-pentyl acetate 972.31
    transcutol 10662.32
    n-heptanol 684.21
    ethylbenzene 469.9
    MIBK 2301.68
    2-propoxyethanol 4860.26
    tert-butanol 5858.31
    MTBE 6485.48
    2-butoxyethanol 1544.55
    propionic acid 2771.73
    o-xylene 438.79
    formic acid 826.4
    diethyl ether 11374.39
    m-xylene 627.93
    p-xylene 449.22
    chlorobenzene 1169.46
    dimethyl carbonate 769.31
    n-octane 54.62
    formamide 1769.92
    cyclopentanone 2330.59
    2-pentanone 5347.75
    anisole 1332.89
    cyclopentyl methyl ether 2749.02
    gamma-butyrolactone 2644.06
    1-methoxy-2-propanol 4707.04
    pyridine 3799.81
    3-pentanone 2784.43
    furfural 1924.37
    n-dodecane 29.06
    diethylene glycol 2295.93
    diisopropyl ether 1840.61
    tert-amyl alcohol 2987.37
    acetylacetone 3404.56
    n-hexadecane 33.51
    acetophenone 809.73
    methyl propionate 4473.97
    isopentyl acetate 2865.69
    trichloroethylene 5317.13
    n-nonanol 377.38
    cyclohexanol 2008.46
    benzyl alcohol 985.47
    2-ethylhexanol 1337.29
    isooctanol 522.11
    dipropyl ether 3421.86
    1,2-dichlorobenzene 734.19
    ethyl lactate 696.89
    propylene carbonate 1476.53
    n-methylformamide 2602.07
    2-pentanol 3413.7
    n-pentane 357.51
    1-propoxy-2-propanol 3233.93
    1-methoxy-2-propyl acetate 2969.88
    2-(2-methoxypropoxy) propanol 775.59
    mesitylene 352.36
    ε-caprolactone 2824.63
    p-cymene 251.74
    epichlorohydrin 4771.04
    1,1,1-trichloroethane 2696.8
    2-aminoethanol 2315.13
    morpholine-4-carbaldehyde 2086.41
    sulfolane 1456.8
    2,2,4-trimethylpentane 123.6
    2-methyltetrahydrofuran 4078.34
    n-hexyl acetate 1046.84
    isooctane 149.98
    2-(2-butoxyethoxy)ethanol 1645.6
    sec-butyl acetate 2234.0
    tert-butyl acetate 3321.61
    decalin 138.54
    glycerin 997.29
    diglyme 3820.97
    acrylic acid 1350.96
    isopropyl myristate 307.92
    n-butyric acid 6676.03
    acetyl acetate 2692.78
    di(2-ethylhexyl) phthalate 211.85
    ethyl propionate 2962.79
    nitromethane 5811.74
    1,2-diethoxyethane 5615.24
    benzonitrile 1105.62
    trioctyl phosphate 176.75
    1-bromopropane 2796.73
    gamma-valerolactone 4081.98
    n-decanol 269.19
    triethyl phosphate 405.7
    4-methyl-2-pentanol 1437.68
    propionitrile 4665.01
    vinylene carbonate 1270.42
    1,1,2-trichlorotrifluoroethane 2016.55
    DMS 701.13
    cumene 256.72
    2-octanol 315.4
    2-hexanone 2896.62
    octyl acetate 364.48
    limonene 463.72
    1,2-dimethoxyethane 7721.61
    ethyl orthosilicate 496.69
    tributyl phosphate 261.35
    diacetone alcohol 2219.88
    N,N-dimethylaniline 500.55
    acrylonitrile 3726.36
    aniline 1651.32
    1,3-propanediol 3810.62
    bromobenzene 1098.06
    dibromomethane 3143.76
    1,1,2,2-tetrachloroethane 3921.6
    2-methyl-cyclohexyl acetate 789.9
    tetrabutyl urea 272.07
    diisobutyl methanol 717.67
    2-phenylethanol 1073.4
    styrene 708.32
    dioctyl adipate 399.99
    dimethyl sulfate 570.26
    ethyl butyrate 3023.76
    methyl lactate 874.97
    butyl lactate 620.17
    diethyl carbonate 1329.43
    propanediol butyl ether 825.6
    triethyl orthoformate 1362.51
    p-tert-butyltoluene 252.17
    methyl 4-tert-butylbenzoate 415.38
    morpholine 9773.25
    tert-butylamine 3853.63
    n-dodecanol 196.36
    dimethoxymethane 4560.27
    ethylene carbonate 1496.8
    cyrene 433.65
    2-ethoxyethyl acetate 1651.36
    2-ethylhexyl acetate 1736.21
    1,2,4-trichlorobenzene 732.12
    4-methylpyridine 2977.04
    dibutyl ether 1436.61
    2,6-dimethyl-4-heptanol 717.67
    DEF 3752.62
    dimethyl isosorbide 1102.0
    tetrachloroethylene 2560.55
    eugenol 453.25
    triacetin 707.96
    span 80 649.95
    1,4-butanediol 1071.23
    1,1-dichloroethane 4655.92
    2-methyl-1-pentanol 2132.04
    methyl formate 1579.38
    2-methyl-1-butanol 2964.36
    n-decane 61.5
    butyronitrile 5456.21
    3,7-dimethyl-1-octanol 592.69
    1-chlorooctane 297.21
    1-chlorotetradecane 89.01
    n-nonane 66.14
    undecane 39.73
    tert-butylcyclohexane 149.79
    cyclooctane 131.18
    cyclopentanol 1374.01
    tetrahydropyran 8406.76
    tert-amyl methyl ether 2653.74
    2,5,8-trioxanonane 1539.79
    1-hexene 1856.39
    2-isopropoxyethanol 2549.0
    2,2,2-trifluoroethanol 510.28
    methyl butyrate 4064.67

    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