3-Methylhexan-2-ol

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  • Identifiers

    CAS number
    2313-65-7

    Molecular formula
    C7H16O

    SMILES
    CCCC(C)C(C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Green 71.44%
    Floral 60.05%
    Oily 56.96%
    Fermented 52.31%
    Fruity 49.84%
    Alcoholic 44.91%
    Herbal 41.11%
    Ethereal 36.98%
    Sweet 36.52%
    Musty 35.83%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    150°C

    Flash point est.
    48.97 ˚C

  • Synonyms

    • 3-Methylhexan-2-ol
    • 3-METHYL-2-HEXANOL
    • 2313-65-7
    • 2-Hexanol, 3-methyl-
    • EINECS 219-009-8
    • DTXSID60945807
    • NSC 93810
    • 3-methyl-hexan-2-ol
    • NSC93810
    • SCHEMBL425153
    • CHEBI:179174
    • DTXCID501374110
    • LMFA05000465
    • NSC-93810
    • AKOS011018917
    • NS00048015
    • EN300-154853
    • 219-009-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1534.79
    methanol 1323.68
    isopropanol 1545.56
    water 1.68
    ethyl acetate 482.11
    n-propanol 1370.67
    acetone 579.12
    n-butanol 1288.89
    acetonitrile 505.38
    DMF 362.27
    toluene 180.92
    isobutanol 1059.67
    1,4-dioxane 1027.95
    methyl acetate 456.6
    THF 1577.3
    2-butanone 598.62
    n-pentanol 804.59
    sec-butanol 1313.56
    n-hexane 363.95
    ethylene glycol 212.01
    NMP 408.24
    cyclohexane 242.38
    DMSO 519.51
    n-butyl acetate 864.17
    n-octanol 506.83
    chloroform 1136.44
    n-propyl acetate 387.16
    acetic acid 503.96
    dichloromethane 697.56
    cyclohexanone 772.8
    propylene glycol 399.33
    isopropyl acetate 340.42
    DMAc 285.9
    2-ethoxyethanol 622.97
    isopentanol 1072.38
    n-heptane 295.28
    ethyl formate 309.53
    1,2-dichloroethane 411.92
    n-hexanol 1594.33
    2-methoxyethanol 912.85
    isobutyl acetate 295.33
    tetrachloromethane 353.11
    n-pentyl acetate 392.81
    transcutol 1356.24
    n-heptanol 602.62
    ethylbenzene 135.1
    MIBK 350.31
    2-propoxyethanol 1286.83
    tert-butanol 1774.11
    MTBE 1169.01
    2-butoxyethanol 676.16
    propionic acid 583.52
    o-xylene 146.22
    formic acid 150.65
    diethyl ether 745.02
    m-xylene 165.91
    p-xylene 178.29
    chlorobenzene 259.94
    dimethyl carbonate 62.9
    n-octane 96.39
    formamide 123.78
    cyclopentanone 771.49
    2-pentanone 475.95
    anisole 244.37
    cyclopentyl methyl ether 655.82
    gamma-butyrolactone 659.76
    1-methoxy-2-propanol 749.22
    pyridine 485.24
    3-pentanone 295.3
    furfural 503.97
    n-dodecane 57.91
    diethylene glycol 656.79
    diisopropyl ether 297.35
    tert-amyl alcohol 1349.7
    acetylacetone 315.23
    n-hexadecane 62.63
    acetophenone 187.37
    methyl propionate 289.08
    isopentyl acetate 748.91
    trichloroethylene 671.94
    n-nonanol 410.17
    cyclohexanol 853.52
    benzyl alcohol 242.94
    2-ethylhexanol 858.8
    isooctanol 470.47
    dipropyl ether 735.81
    1,2-dichlorobenzene 229.62
    ethyl lactate 169.26
    propylene carbonate 370.65
    n-methylformamide 278.17
    2-pentanol 897.11
    n-pentane 263.6
    1-propoxy-2-propanol 1097.47
    1-methoxy-2-propyl acetate 455.18
    2-(2-methoxypropoxy) propanol 378.59
    mesitylene 122.53
    ε-caprolactone 644.68
    p-cymene 167.08
    epichlorohydrin 689.49
    1,1,1-trichloroethane 601.16
    2-aminoethanol 560.11
    morpholine-4-carbaldehyde 507.97
    sulfolane 640.52
    2,2,4-trimethylpentane 135.13
    2-methyltetrahydrofuran 1259.28
    n-hexyl acetate 529.35
    isooctane 124.27
    2-(2-butoxyethoxy)ethanol 594.0
    sec-butyl acetate 271.06
    tert-butyl acetate 410.07
    decalin 111.85
    glycerin 375.57
    diglyme 830.87
    acrylic acid 326.43
    isopropyl myristate 207.36
    n-butyric acid 893.96
    acetyl acetate 195.25
    di(2-ethylhexyl) phthalate 164.75
    ethyl propionate 250.48
    nitromethane 416.58
    1,2-diethoxyethane 612.7
    benzonitrile 334.42
    trioctyl phosphate 159.94
    1-bromopropane 561.37
    gamma-valerolactone 794.02
    n-decanol 296.02
    triethyl phosphate 144.39
    4-methyl-2-pentanol 521.92
    propionitrile 607.03
    vinylene carbonate 284.37
    1,1,2-trichlorotrifluoroethane 468.94
    DMS 171.43
    cumene 129.2
    2-octanol 401.7
    2-hexanone 480.84
    octyl acetate 249.91
    limonene 316.23
    1,2-dimethoxyethane 845.19
    ethyl orthosilicate 172.83
    tributyl phosphate 173.7
    diacetone alcohol 487.31
    N,N-dimethylaniline 168.68
    acrylonitrile 444.19
    aniline 286.82
    1,3-propanediol 751.48
    bromobenzene 253.78
    dibromomethane 618.86
    1,1,2,2-tetrachloroethane 647.63
    2-methyl-cyclohexyl acetate 329.07
    tetrabutyl urea 185.5
    diisobutyl methanol 408.71
    2-phenylethanol 396.7
    styrene 148.93
    dioctyl adipate 214.88
    dimethyl sulfate 95.98
    ethyl butyrate 449.23
    methyl lactate 173.48
    butyl lactate 309.3
    diethyl carbonate 216.56
    propanediol butyl ether 520.51
    triethyl orthoformate 317.71
    p-tert-butyltoluene 169.66
    methyl 4-tert-butylbenzoate 249.32
    morpholine 1198.09
    tert-butylamine 1375.14
    n-dodecanol 223.32
    dimethoxymethane 286.62
    ethylene carbonate 274.93
    cyrene 243.75
    2-ethoxyethyl acetate 351.52
    2-ethylhexyl acetate 566.2
    1,2,4-trichlorobenzene 262.74
    4-methylpyridine 462.13
    dibutyl ether 487.89
    2,6-dimethyl-4-heptanol 408.71
    DEF 369.72
    dimethyl isosorbide 509.01
    tetrachloroethylene 475.64
    eugenol 250.95
    triacetin 271.3
    span 80 453.83
    1,4-butanediol 313.58
    1,1-dichloroethane 655.33
    2-methyl-1-pentanol 669.14
    methyl formate 169.9
    2-methyl-1-butanol 936.38
    n-decane 107.06
    butyronitrile 765.44
    3,7-dimethyl-1-octanol 494.17
    1-chlorooctane 286.02
    1-chlorotetradecane 105.47
    n-nonane 119.7
    undecane 75.27
    tert-butylcyclohexane 145.6
    cyclooctane 90.81
    cyclopentanol 901.44
    tetrahydropyran 1307.18
    tert-amyl methyl ether 662.38
    2,5,8-trioxanonane 514.16
    1-hexene 703.17
    2-isopropoxyethanol 509.99
    2,2,2-trifluoroethanol 128.95
    methyl butyrate 372.14

    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

Botanical

Name CAS Botanical Proportion
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.02%