3-Methyl-2-heptanol

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  • Identifiers

    CAS number
    31367-46-1

    Molecular formula
    C8H18O

    SMILES
    CCCCC(C)C(C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 68.94%
    Floral 65.87%
    Oily 56.84%
    Fruity 51.47%
    Fatty 44.4%
    Herbal 43.74%
    Citrus 41.73%
    Earthy 39.63%
    Waxy 39.28%
    Fresh 38.87%

     

    Flavor
    Green 49.2%
    Fresh 43.99%
    Floral 41.32%
    Citrus 39.75%
    Fruity 37.27%
    Oily 35.17%
    Herbal 34.24%
    Mushroom 30.14%
    Waxy 29.62%
    Mild 28.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.49 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    169°C

    Flash point

    • 63.97 ˚C est.

  • Synonyms

    • 3-METHYL-2-HEPTANOL
    • 31367-46-1
    • 2-Heptanol, 3-methyl-
    • NSC 92762
    • DTXSID90871367
    • RefChem:503663
    • 2-Heptanol, 3-methyl-(8CI)
    • DTXCID40819037
    • 2-Heptanol, 3-methyl-(8CI)(9CI)
    • 654-452-4
    • 3-methylheptan-2-ol
    • 3-methyl-heptan-2-ol
    • NSC92762
    • SCHEMBL1657122
    • SCHEMBL2321904
    • SCHEMBL3940035
    • SCHEMBL6681286
    • LMFA05000479
    • NSC-92762
    • AKOS011020296
    • CS-0297346
    • NS00096366
    • EN300-1625726
    • 31367-46-1

  • Applications

    3-Methyl-2-heptanol (CAS 31367-46-1) is commonly used as a fragrance ingredient and flavor precursor in perfumery and food applications; as a solvent or processing aid in cosmetics and certain cleaning products; as a chemical intermediate in industrial manufacturing for the synthesis of esters and derivatives such as plasticizers and fragrance components; as a building block for plastics and polymers via esterification; and may be considered an intermediate in pharmaceutical synthesis under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2466.09
    methanol 1160.88
    isopropanol 2832.24
    water 0.66
    ethyl acetate 884.77
    n-propanol 2263.04
    acetone 1129.38
    n-butanol 2247.04
    acetonitrile 989.87
    DMF 586.39
    toluene 324.72
    isobutanol 1716.63
    1,4-dioxane 1821.31
    methyl acetate 710.29
    THF 2880.79
    2-butanone 1063.14
    n-pentanol 1285.48
    sec-butanol 2167.03
    n-hexane 638.52
    ethylene glycol 192.58
    NMP 503.72
    cyclohexane 631.25
    DMSO 905.59
    n-butyl acetate 1646.39
    n-octanol 760.95
    chloroform 2177.16
    n-propyl acetate 653.12
    acetic acid 757.25
    dichloromethane 1577.64
    cyclohexanone 1429.61
    propylene glycol 495.93
    isopropyl acetate 549.45
    DMAc 384.29
    2-ethoxyethanol 854.29
    isopentanol 1806.44
    n-heptane 692.83
    ethyl formate 591.29
    1,2-dichloroethane 849.75
    n-hexanol 2380.53
    2-methoxyethanol 1322.59
    isobutyl acetate 437.34
    tetrachloromethane 508.38
    n-pentyl acetate 631.44
    transcutol 1860.95
    n-heptanol 914.51
    ethylbenzene 216.51
    MIBK 541.3
    2-propoxyethanol 1682.23
    tert-butanol 3055.83
    MTBE 1744.51
    2-butoxyethanol 909.72
    propionic acid 790.86
    o-xylene 215.49
    formic acid 124.29
    diethyl ether 1449.08
    m-xylene 237.74
    p-xylene 289.11
    chlorobenzene 426.8
    dimethyl carbonate 86.15
    n-octane 182.49
    formamide 153.35
    cyclopentanone 1243.18
    2-pentanone 933.48
    anisole 363.78
    cyclopentyl methyl ether 1064.23
    gamma-butyrolactone 1076.62
    1-methoxy-2-propanol 1200.24
    pyridine 984.88
    3-pentanone 471.93
    furfural 760.04
    n-dodecane 97.53
    diethylene glycol 692.44
    diisopropyl ether 478.21
    tert-amyl alcohol 1917.62
    acetylacetone 516.35
    n-hexadecane 106.99
    acetophenone 275.82
    methyl propionate 440.46
    isopentyl acetate 1282.67
    trichloroethylene 1232.29
    n-nonanol 610.15
    cyclohexanol 1459.63
    benzyl alcohol 343.83
    2-ethylhexanol 1449.75
    isooctanol 684.66
    dipropyl ether 1529.48
    1,2-dichlorobenzene 351.25
    ethyl lactate 219.78
    propylene carbonate 636.44
    n-methylformamide 405.99
    2-pentanol 1495.54
    n-pentane 505.53
    1-propoxy-2-propanol 1575.19
    1-methoxy-2-propyl acetate 717.22
    2-(2-methoxypropoxy) propanol 497.65
    mesitylene 173.76
    ε-caprolactone 1124.31
    p-cymene 285.34
    epichlorohydrin 1264.77
    1,1,1-trichloroethane 1045.99
    2-aminoethanol 634.64
    morpholine-4-carbaldehyde 727.72
    sulfolane 865.68
    2,2,4-trimethylpentane 200.25
    2-methyltetrahydrofuran 2402.14
    n-hexyl acetate 797.43
    isooctane 188.29
    2-(2-butoxyethoxy)ethanol 793.73
    sec-butyl acetate 427.32
    tert-butyl acetate 571.79
    decalin 191.92
    glycerin 417.56
    diglyme 1203.35
    acrylic acid 422.38
    isopropyl myristate 296.84
    n-butyric acid 1598.86
    acetyl acetate 313.38
    di(2-ethylhexyl) phthalate 226.4
    ethyl propionate 420.76
    nitromethane 708.21
    1,2-diethoxyethane 1087.95
    benzonitrile 550.03
    trioctyl phosphate 229.87
    1-bromopropane 1197.94
    gamma-valerolactone 1332.11
    n-decanol 433.57
    triethyl phosphate 233.64
    4-methyl-2-pentanol 756.41
    propionitrile 1093.98
    vinylene carbonate 463.6
    1,1,2-trichlorotrifluoroethane 678.39
    DMS 242.87
    cumene 177.2
    2-octanol 623.43
    2-hexanone 811.15
    octyl acetate 370.81
    limonene 596.8
    1,2-dimethoxyethane 1446.52
    ethyl orthosilicate 266.51
    tributyl phosphate 251.06
    diacetone alcohol 664.99
    N,N-dimethylaniline 237.48
    acrylonitrile 744.31
    aniline 479.75
    1,3-propanediol 1018.97
    bromobenzene 422.38
    dibromomethane 1404.25
    1,1,2,2-tetrachloroethane 1101.31
    2-methyl-cyclohexyl acetate 518.63
    tetrabutyl urea 279.02
    diisobutyl methanol 644.91
    2-phenylethanol 536.13
    styrene 253.51
    dioctyl adipate 335.49
    dimethyl sulfate 121.05
    ethyl butyrate 864.18
    methyl lactate 208.77
    butyl lactate 441.14
    diethyl carbonate 408.63
    propanediol butyl ether 708.11
    triethyl orthoformate 555.49
    p-tert-butyltoluene 281.71
    methyl 4-tert-butylbenzoate 324.23
    morpholine 2266.29
    tert-butylamine 2284.68
    n-dodecanol 328.53
    dimethoxymethane 478.01
    ethylene carbonate 483.5
    cyrene 302.74
    2-ethoxyethyl acetate 520.03
    2-ethylhexyl acetate 968.5
    1,2,4-trichlorobenzene 394.42
    4-methylpyridine 893.55
    dibutyl ether 933.19
    2,6-dimethyl-4-heptanol 644.91
    DEF 638.41
    dimethyl isosorbide 652.46
    tetrachloroethylene 740.8
    eugenol 321.95
    triacetin 376.09
    span 80 647.18
    1,4-butanediol 358.28
    1,1-dichloroethane 1368.59
    2-methyl-1-pentanol 1023.06
    methyl formate 239.91
    2-methyl-1-butanol 1508.9
    n-decane 183.77
    butyronitrile 1677.08
    3,7-dimethyl-1-octanol 711.91
    1-chlorooctane 447.19
    1-chlorotetradecane 167.02
    n-nonane 203.86
    undecane 126.92
    tert-butylcyclohexane 214.38
    cyclooctane 186.46
    cyclopentanol 1490.62
    tetrahydropyran 2719.28
    tert-amyl methyl ether 957.92
    2,5,8-trioxanonane 716.47
    1-hexene 1274.1
    2-isopropoxyethanol 670.38
    2,2,2-trifluoroethanol 140.75
    methyl butyrate 667.2

    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