3-Methyl-1-heptanol

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  • Identifiers

    CAS number
    1070-32-2

    Molecular formula
    C8H18O

    SMILES
    CCCCC(C)CCO

    Safety labels

  • Odor profile

    Fragrance
    Green 87.26%
    Floral 75.47%
    Fatty 65.99%
    Fruity 65.12%
    Sweet 64.88%
    Oily 62.62%
    Herbal 61.65%
    Fresh 60.93%
    Citrus 58.77%
    Waxy 58.38%

     

    Flavor
    Green 68.31%
    Fresh 53.23%
    Floral 52.66%
    Waxy 51.99%
    Citrus 50.37%
    Mushroom 45.31%
    Bitter 41.04%
    Orange 40.29%
    Rose 39.56%
    Fruity 38.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.87 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    186°C

    Flash point

    • 73.52 ˚C est.

  • Synonyms

    • 3-Methyl-1-heptanol
    • 1-Heptanol, 3-methyl-
    • 1070-32-2
    • E9JH4FPA8D
    • DTXSID10910207
    • RefChem:1068173
    • DTXCID50969653
    • 3-methylheptan-1-ol
    • UNII-E9JH4FPA8D
    • 3-methylheptanol
    • 3-Methyl-1-heptanol #
    • SCHEMBL366860
    • SCHEMBL393691
    • SCHEMBL8113880
    • MUPPEBVXFKNMCI-UHFFFAOYSA-
    • MFCD00046009
    • AKOS006274833
    • (+/-)-3-METHYL-1-HEPTANOL
    • AS-76776
    • 3-METHYL-1-HEPTANOL, (+/-)-
    • D93301
    • Q27277044
    • InChI=1/C8H18O/c1-3-4-5-8(2)6-7-9/h8-9H,3-7H2,1-2H3
    • 1070-32-2

  • Applications

    3-Methyl-1-heptanol is a branched long-chain primary alcohol used mainly as a fragrance ingredient and industrial raw material. In perfumery and personal care, it contributes green, citrusy, or woody notes and can function as a fixative or modifier in fragrance blends. It is also used as a solvent or synthetic intermediate to prepare esters for flavors and fragrances. In coatings and inks, it may serve as a co-solvent or building block for specialty esters. In polymers and plastics, it can be used to synthesize plasticizers or as a starting material for polyurethane and acrylic formulations. It may be evaluated as an intermediate for pharmaceutical or agrochemical syntheses under appropriate regulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25741.94
    methanol 23640.09
    isopropanol 26267.06
    water 1.48
    ethyl acetate 8880.94
    n-propanol 24091.36
    acetone 20428.41
    n-butanol 23034.04
    acetonitrile 8996.21
    DMF 8461.11
    toluene 1629.59
    isobutanol 17246.32
    1,4-dioxane 10036.08
    methyl acetate 6191.2
    THF 21113.66
    2-butanone 11772.83
    n-pentanol 9457.07
    sec-butanol 16734.88
    n-hexane 2786.63
    ethylene glycol 2544.5
    NMP 4913.31
    cyclohexane 2883.26
    DMSO 16192.35
    n-butyl acetate 10095.12
    n-octanol 2486.72
    chloroform 8942.14
    n-propyl acetate 6088.1
    acetic acid 8391.92
    dichloromethane 7723.9
    cyclohexanone 14589.81
    propylene glycol 4706.76
    isopropyl acetate 5016.63
    DMAc 2536.37
    2-ethoxyethanol 6492.32
    isopentanol 15124.8
    n-heptane 1832.6
    ethyl formate 5662.08
    1,2-dichloroethane 6495.18
    n-hexanol 12638.09
    2-methoxyethanol 14002.54
    isobutyl acetate 2977.07
    tetrachloromethane 2893.66
    n-pentyl acetate 2972.38
    transcutol 11093.53
    n-heptanol 3154.04
    ethylbenzene 909.41
    MIBK 4716.59
    2-propoxyethanol 10773.54
    tert-butanol 24306.38
    MTBE 11353.95
    2-butoxyethanol 4047.48
    propionic acid 9313.1
    o-xylene 919.32
    formic acid 1925.32
    diethyl ether 10290.1
    m-xylene 1242.64
    p-xylene 1198.74
    chlorobenzene 2328.95
    dimethyl carbonate 930.76
    n-octane 410.43
    formamide 2921.1
    cyclopentanone 14461.44
    2-pentanone 10923.99
    anisole 1732.03
    cyclopentyl methyl ether 9806.53
    gamma-butyrolactone 11674.12
    1-methoxy-2-propanol 10425.99
    pyridine 6547.41
    3-pentanone 5138.53
    furfural 5476.81
    n-dodecane 161.96
    diethylene glycol 4356.15
    diisopropyl ether 2869.09
    tert-amyl alcohol 12985.84
    acetylacetone 5105.56
    n-hexadecane 185.38
    acetophenone 1309.1
    methyl propionate 5208.76
    isopentyl acetate 6550.29
    trichloroethylene 8550.75
    n-nonanol 1857.93
    cyclohexanol 12635.31
    benzyl alcohol 1780.29
    2-ethylhexanol 5718.63
    isooctanol 2329.61
    dipropyl ether 7711.5
    1,2-dichlorobenzene 1809.72
    ethyl lactate 1384.96
    propylene carbonate 4626.17
    n-methylformamide 7849.74
    2-pentanol 12290.97
    n-pentane 2188.87
    1-propoxy-2-propanol 9031.43
    1-methoxy-2-propyl acetate 4145.11
    2-(2-methoxypropoxy) propanol 1550.75
    mesitylene 828.43
    ε-caprolactone 9346.0
    p-cymene 915.05
    epichlorohydrin 10550.0
    1,1,1-trichloroethane 6576.97
    2-aminoethanol 7903.28
    morpholine-4-carbaldehyde 4802.71
    sulfolane 10410.23
    2,2,4-trimethylpentane 732.9
    2-methyltetrahydrofuran 17902.01
    n-hexyl acetate 3561.54
    isooctane 691.99
    2-(2-butoxyethoxy)ethanol 3076.21
    sec-butyl acetate 3112.56
    tert-butyl acetate 4822.65
    decalin 735.31
    glycerin 3283.96
    diglyme 5750.62
    acrylic acid 4792.56
    isopropyl myristate 906.0
    n-butyric acid 16706.74
    acetyl acetate 2379.21
    di(2-ethylhexyl) phthalate 624.49
    ethyl propionate 3761.72
    nitromethane 9822.61
    1,2-diethoxyethane 5574.98
    benzonitrile 2685.49
    trioctyl phosphate 666.85
    1-bromopropane 5889.45
    gamma-valerolactone 12239.24
    n-decanol 1220.51
    triethyl phosphate 828.58
    4-methyl-2-pentanol 4591.67
    propionitrile 9537.37
    vinylene carbonate 3302.43
    1,1,2-trichlorotrifluoroethane 5080.64
    DMS 1114.87
    cumene 625.06
    2-octanol 1987.8
    2-hexanone 6785.44
    octyl acetate 1156.27
    limonene 2257.8
    1,2-dimethoxyethane 9287.13
    ethyl orthosilicate 1015.45
    tributyl phosphate 880.71
    diacetone alcohol 5533.32
    N,N-dimethylaniline 888.57
    acrylonitrile 7548.4
    aniline 3646.2
    1,3-propanediol 11319.89
    bromobenzene 2069.53
    dibromomethane 6502.79
    1,1,2,2-tetrachloroethane 7264.49
    2-methyl-cyclohexyl acetate 2038.92
    tetrabutyl urea 944.45
    diisobutyl methanol 2543.7
    2-phenylethanol 2315.03
    styrene 1156.35
    dioctyl adipate 1065.72
    dimethyl sulfate 1232.38
    ethyl butyrate 5078.55
    methyl lactate 1739.91
    butyl lactate 2073.58
    diethyl carbonate 1798.21
    propanediol butyl ether 3005.93
    triethyl orthoformate 2442.43
    p-tert-butyltoluene 879.58
    methyl 4-tert-butylbenzoate 1038.91
    morpholine 15567.96
    tert-butylamine 16760.11
    n-dodecanol 862.27
    dimethoxymethane 5329.26
    ethylene carbonate 3641.95
    cyrene 1012.48
    2-ethoxyethyl acetate 2581.32
    2-ethylhexyl acetate 4480.11
    1,2,4-trichlorobenzene 1854.76
    4-methylpyridine 5938.22
    dibutyl ether 3916.04
    2,6-dimethyl-4-heptanol 2543.7
    DEF 6742.06
    dimethyl isosorbide 2246.35
    tetrachloroethylene 5647.93
    eugenol 1044.86
    triacetin 1360.16
    span 80 1973.93
    1,4-butanediol 3081.16
    1,1-dichloroethane 8180.9
    2-methyl-1-pentanol 5836.19
    methyl formate 4032.21
    2-methyl-1-butanol 12652.56
    n-decane 364.26
    butyronitrile 12879.11
    3,7-dimethyl-1-octanol 2586.47
    1-chlorooctane 1402.66
    1-chlorotetradecane 376.49
    n-nonane 439.58
    undecane 229.21
    tert-butylcyclohexane 795.49
    cyclooctane 742.46
    cyclopentanol 14557.66
    tetrahydropyran 19412.18
    tert-amyl methyl ether 5716.52
    2,5,8-trioxanonane 2381.03
    1-hexene 6618.78
    2-isopropoxyethanol 4045.79
    2,2,2-trifluoroethanol 1600.62
    methyl butyrate 6090.69

    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