2-Methylheptan-3-ol

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  • Identifiers

    CAS number
    18720-62-2

    Molecular formula
    C8H18O

    SMILES
    CCCCC(C(C)C)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Oily 60.84%
    Green 57.53%
    Herbal 54.35%
    Fermented 52.89%
    Floral 51.15%
    Sweet 49.84%
    Alcoholic 44.43%
    Fruity 39.47%
    Musty 39.34%
    Spicy 37.36%

     

    Flavor
    Fruity 40.61%
    Herbal 35.55%
    Herb 29.8%
    Oily 29.35%
    Green 28.42%
    Fermented 27.1%
    Fishy 25.58%
    Bitter 25.52%
    Spicy 25.26%
    Fresh 24.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.28 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    164°C

    Flash point

    • 62.05 ˚C est.

  • Synonyms

    • 2-Methyl-3-heptanol
    • 2-Methylheptan-3-ol
    • 2-Methylheptanol-(3)
    • EINECS 242-530-7
    • AI3-38064
    • NSC 244886
    • RefChem:88328
    • 242-530-7
    • QGVFLDUEHSIZIG-UHFFFAOYSA-N
    • 18720-62-2
    • 3-Heptanol, 2-methyl-
    • NSC244886
    • n-Butyl isopropyl carbinol
    • SCHEMBL109083
    • SCHEMBL1191145
    • SCHEMBL3162348
    • SCHEMBL3940037
    • SCHEMBL4398732
    • DTXSID701031073
    • MFCD00021938
    • AKOS009157728
    • NSC-244886
    • SB84301
    • NS00047398
    • 18720-62-2

  • Applications

    2-Methylheptan-3-ol (CAS 18720-62-2) may be used in several real-world contexts, including as an odorant/fragrance ingredient in perfumery; as a fragrance component and solvent or processing aid in cosmetics and personal care products; as a solvent or odor carrier in household cleaning formulations; as an industrial chemical intermediate for synthesis of esters or other compounds; and as a processing solvent or additive in paints, coatings, and inks. Its use depends on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1229.15
    methanol 752.81
    isopropanol 1360.51
    water 0.47
    ethyl acetate 420.13
    n-propanol 1105.85
    acetone 478.94
    n-butanol 1185.85
    acetonitrile 469.12
    DMF 304.29
    toluene 226.1
    isobutanol 861.94
    1,4-dioxane 996.75
    methyl acetate 355.66
    THF 1559.04
    2-butanone 548.88
    n-pentanol 797.66
    sec-butanol 1201.27
    n-hexane 502.82
    ethylene glycol 100.73
    NMP 306.83
    cyclohexane 435.55
    DMSO 417.28
    n-butyl acetate 1130.4
    n-octanol 605.58
    chloroform 1503.45
    n-propyl acetate 438.2
    acetic acid 415.42
    dichloromethane 974.91
    cyclohexanone 796.78
    propylene glycol 250.34
    isopropyl acetate 293.44
    DMAc 248.34
    2-ethoxyethanol 497.34
    isopentanol 1011.72
    n-heptane 554.02
    ethyl formate 320.07
    1,2-dichloroethane 495.91
    n-hexanol 1530.24
    2-methoxyethanol 692.89
    isobutyl acetate 317.44
    tetrachloromethane 373.86
    n-pentyl acetate 492.26
    transcutol 1244.93
    n-heptanol 722.83
    ethylbenzene 194.83
    MIBK 309.71
    2-propoxyethanol 1030.76
    tert-butanol 1520.13
    MTBE 955.28
    2-butoxyethanol 706.99
    propionic acid 427.0
    o-xylene 162.7
    formic acid 78.0
    diethyl ether 752.79
    m-xylene 165.2
    p-xylene 265.36
    chlorobenzene 311.0
    dimethyl carbonate 49.15
    n-octane 170.01
    formamide 88.69
    cyclopentanone 671.35
    2-pentanone 461.78
    anisole 279.92
    cyclopentyl methyl ether 575.87
    gamma-butyrolactone 566.64
    1-methoxy-2-propanol 626.44
    pyridine 655.99
    3-pentanone 254.27
    furfural 510.49
    n-dodecane 93.93
    diethylene glycol 422.76
    diisopropyl ether 256.34
    tert-amyl alcohol 1128.62
    acetylacetone 254.1
    n-hexadecane 102.7
    acetophenone 229.7
    methyl propionate 220.36
    isopentyl acetate 962.7
    trichloroethylene 826.47
    n-nonanol 503.49
    cyclohexanol 819.07
    benzyl alcohol 272.95
    2-ethylhexanol 1075.99
    isooctanol 578.96
    dipropyl ether 971.13
    1,2-dichlorobenzene 280.05
    ethyl lactate 168.33
    propylene carbonate 421.35
    n-methylformamide 216.52
    2-pentanol 812.72
    n-pentane 356.86
    1-propoxy-2-propanol 1014.25
    1-methoxy-2-propyl acetate 433.59
    2-(2-methoxypropoxy) propanol 378.99
    mesitylene 128.08
    ε-caprolactone 671.55
    p-cymene 254.33
    epichlorohydrin 710.41
    1,1,1-trichloroethane 655.12
    2-aminoethanol 317.72
    morpholine-4-carbaldehyde 440.63
    sulfolane 505.81
    2,2,4-trimethylpentane 152.61
    2-methyltetrahydrofuran 1272.54
    n-hexyl acetate 589.24
    isooctane 138.22
    2-(2-butoxyethoxy)ethanol 584.32
    sec-butyl acetate 296.48
    tert-butyl acetate 329.8
    decalin 169.02
    glycerin 233.33
    diglyme 869.72
    acrylic acid 249.99
    isopropyl myristate 245.45
    n-butyric acid 827.1
    acetyl acetate 174.86
    di(2-ethylhexyl) phthalate 193.44
    ethyl propionate 267.31
    nitromethane 360.41
    1,2-diethoxyethane 706.41
    benzonitrile 439.95
    trioctyl phosphate 187.48
    1-bromopropane 723.45
    gamma-valerolactone 745.06
    n-decanol 355.5
    triethyl phosphate 194.36
    4-methyl-2-pentanol 472.92
    propionitrile 581.48
    vinylene carbonate 315.62
    1,1,2-trichlorotrifluoroethane 453.94
    DMS 166.87
    cumene 166.97
    2-octanol 503.97
    2-hexanone 541.33
    octyl acetate 293.38
    limonene 454.07
    1,2-dimethoxyethane 906.18
    ethyl orthosilicate 225.03
    tributyl phosphate 212.23
    diacetone alcohol 388.87
    N,N-dimethylaniline 201.5
    acrylonitrile 422.02
    aniline 298.73
    1,3-propanediol 536.22
    bromobenzene 321.91
    dibromomethane 880.03
    1,1,2,2-tetrachloroethane 773.72
    2-methyl-cyclohexyl acetate 430.97
    tetrabutyl urea 233.83
    diisobutyl methanol 496.58
    2-phenylethanol 416.49
    styrene 222.91
    dioctyl adipate 281.51
    dimethyl sulfate 68.69
    ethyl butyrate 632.66
    methyl lactate 125.86
    butyl lactate 356.69
    diethyl carbonate 317.27
    propanediol butyl ether 512.66
    triethyl orthoformate 440.71
    p-tert-butyltoluene 243.92
    methyl 4-tert-butylbenzoate 272.08
    morpholine 1223.32
    tert-butylamine 1268.4
    n-dodecanol 268.12
    dimethoxymethane 244.0
    ethylene carbonate 308.8
    cyrene 239.64
    2-ethoxyethyl acetate 371.58
    2-ethylhexyl acetate 764.88
    1,2,4-trichlorobenzene 309.42
    4-methylpyridine 593.13
    dibutyl ether 700.53
    2,6-dimethyl-4-heptanol 496.58
    DEF 345.55
    dimethyl isosorbide 494.1
    tetrachloroethylene 533.89
    eugenol 276.95
    triacetin 283.3
    span 80 496.23
    1,4-butanediol 225.92
    1,1-dichloroethane 757.88
    2-methyl-1-pentanol 691.31
    methyl formate 132.42
    2-methyl-1-butanol 862.09
    n-decane 170.45
    butyronitrile 938.24
    3,7-dimethyl-1-octanol 567.79
    1-chlorooctane 385.38
    1-chlorotetradecane 146.01
    n-nonane 191.37
    undecane 121.77
    tert-butylcyclohexane 190.49
    cyclooctane 151.47
    cyclopentanol 782.83
    tetrahydropyran 1447.58
    tert-amyl methyl ether 576.78
    2,5,8-trioxanonane 532.07
    1-hexene 931.33
    2-isopropoxyethanol 432.46
    2,2,2-trifluoroethanol 85.12
    methyl butyrate 446.17

    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