6-Methyl-1-heptanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1653-40-3

    Molecular formula
    C8H18O

    SMILES
    CC(C)CCCCCO

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1516.0

  • Odor profile

    Oily 68.05%
    Green 61.12%
    Sweet 55.55%
    Floral 54.55%
    Herbal 51.54%
    Fatty 46.17%
    Fresh 45.5%
    Rose 43.3%
    Fermented 42.09%
    Musty 41.92%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • less than 212 °F (USCG, 1999)
    • -106 °C
    • <212 °F
    • <-105 °F

    Boiling point

    • 367 °F at 760 mmHg (USCG, 1999)
    • 188 °C; 95.8 °C at 20 atm
    • 367 °F

    Flash point est.
    76.76 ˚C

    Flash point expt.

    • 180 °F (USCG, 1999)
    • 82 °C
    • 180 °F (82 °C) (Open cup)
    • 180 °F (open-cup)
    • (oc) 180 °F

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • Soluble in ethanol, ether
    • In water, 640 mg/L at 25 °C
    • Insoluble

  • Synonyms

    • 6-METHYL-1-HEPTANOL
    • 1653-40-3
    • 6-METHYLHEPTAN-1-OL
    • Isooctanol
    • 1-Heptanol, 6-methyl-
    • ISOOCTYL ALCOHOL
    • 26952-21-6
    • 6-Methylheptanol
    • 6-Methylheptanol (90per cent)
    • 6-methyl-heptan-1-ol
    • MFCD00060842
    • 6-Methylheptanol (90%)
    • IJF7D6C38T
    • 91994-92-2
    • 6-Methyl-1-heptyl Alcohol (unlabelled)
    • METHYL HEPTANOL
    • UNII-IJF7D6C38T
    • isooctanols
    • EINECS 271-231-4
    • EINECS 271-361-1
    • 40742-11-8
    • EC 271-231-4
    • SCHEMBL26877
    • MHN
    • QSPL 119
    • CHEBI:44009
    • DTXSID50872375
    • EINECS 255-061-8
    • STL453649
    • AKOS006273543
    • Titanium(4+) 6-methylheptan-1-olate
    • FM25849
    • AS-44335
    • DA-36043
    • DB-254971
    • CS-0210352
    • NS00008167
    • A10851
    • EN300-219548
    • Q27280756
    • Z1198149583

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11189.08
    methanol 11027.32
    isopropanol 10054.35
    water 1.24
    ethyl acetate 3463.43
    n-propanol 9860.45
    acetone 7120.26
    n-butanol 10401.74
    acetonitrile 2801.45
    DMF 3323.55
    toluene 866.1
    isobutanol 6648.17
    1,4-dioxane 3824.89
    methyl acetate 2276.76
    THF 9496.25
    2-butanone 4497.53
    n-pentanol 4540.93
    sec-butanol 6817.38
    n-hexane 1876.6
    ethylene glycol 1166.78
    NMP 2271.59
    cyclohexane 1532.96
    DMSO 6236.12
    n-butyl acetate 4896.24
    n-octanol 1448.85
    chloroform 4258.28
    n-propyl acetate 2960.1
    acetic acid 3845.85
    dichloromethane 3283.63
    cyclohexanone 5743.49
    propylene glycol 2272.18
    isopropyl acetate 2185.3
    DMAc 1201.72
    2-ethoxyethanol 3242.45
    isopentanol 6910.32
    n-heptane 1136.66
    ethyl formate 2324.32
    1,2-dichloroethane 2736.94
    n-hexanol 6617.02
    2-methoxyethanol 6941.85
    isobutyl acetate 1488.17
    tetrachloromethane 1455.13
    n-pentyl acetate 1593.77
    transcutol 6657.95
    n-heptanol 1878.57
    ethylbenzene 526.59
    MIBK 2278.6
    2-propoxyethanol 5830.5
    tert-butanol 9649.07
    MTBE 4773.33
    2-butoxyethanol 2556.83
    propionic acid 3863.75
    o-xylene 530.65
    formic acid 986.64
    diethyl ether 4574.35
    m-xylene 691.57
    p-xylene 680.59
    chlorobenzene 1108.68
    dimethyl carbonate 402.41
    n-octane 261.03
    formamide 1276.35
    cyclopentanone 5900.18
    2-pentanone 4822.69
    anisole 934.19
    cyclopentyl methyl ether 4698.1
    gamma-butyrolactone 4668.02
    1-methoxy-2-propanol 5181.53
    pyridine 2703.47
    3-pentanone 2327.43
    furfural 2636.25
    n-dodecane 98.85
    diethylene glycol 2437.41
    diisopropyl ether 1351.73
    tert-amyl alcohol 5866.39
    acetylacetone 2210.26
    n-hexadecane 111.76
    acetophenone 743.72
    methyl propionate 2127.03
    isopentyl acetate 3537.36
    trichloroethylene 3876.04
    n-nonanol 1122.09
    cyclohexanol 5575.6
    benzyl alcohol 1027.12
    2-ethylhexanol 3328.72
    isooctanol 1457.29
    dipropyl ether 4161.76
    1,2-dichlorobenzene 914.96
    ethyl lactate 790.93
    propylene carbonate 2124.78
    n-methylformamide 3097.94
    2-pentanol 5719.62
    n-pentane 1328.86
    1-propoxy-2-propanol 5293.27
    1-methoxy-2-propyl acetate 2187.74
    2-(2-methoxypropoxy) propanol 1017.32
    mesitylene 475.77
    ε-caprolactone 3937.83
    p-cymene 578.58
    epichlorohydrin 4299.8
    1,1,1-trichloroethane 2805.3
    2-aminoethanol 3623.5
    morpholine-4-carbaldehyde 2317.43
    sulfolane 4537.57
    2,2,4-trimethylpentane 439.92
    2-methyltetrahydrofuran 7253.07
    n-hexyl acetate 1948.45
    isooctane 404.3
    2-(2-butoxyethoxy)ethanol 1991.29
    sec-butyl acetate 1583.77
    tert-butyl acetate 2359.19
    decalin 439.9
    glycerin 1852.34
    diglyme 3478.6
    acrylic acid 2147.62
    isopropyl myristate 544.27
    n-butyric acid 7443.09
    acetyl acetate 1033.58
    di(2-ethylhexyl) phthalate 408.17
    ethyl propionate 1902.0
    nitromethane 3502.54
    1,2-diethoxyethane 2857.81
    benzonitrile 1277.85
    trioctyl phosphate 421.63
    1-bromopropane 2639.7
    gamma-valerolactone 5228.47
    n-decanol 743.35
    triethyl phosphate 574.95
    4-methyl-2-pentanol 2387.42
    propionitrile 3487.77
    vinylene carbonate 1457.89
    1,1,2-trichlorotrifluoroethane 2773.41
    DMS 603.81
    cumene 386.25
    2-octanol 1176.64
    2-hexanone 3308.87
    octyl acetate 701.03
    limonene 1308.82
    1,2-dimethoxyethane 4392.55
    ethyl orthosilicate 731.15
    tributyl phosphate 548.66
    diacetone alcohol 2849.43
    N,N-dimethylaniline 547.5
    acrylonitrile 2741.06
    aniline 1752.57
    1,3-propanediol 5310.54
    bromobenzene 974.9
    dibromomethane 3009.0
    1,1,2,2-tetrachloroethane 3567.74
    2-methyl-cyclohexyl acetate 1285.93
    tetrabutyl urea 594.05
    diisobutyl methanol 1564.96
    2-phenylethanol 1337.13
    styrene 637.78
    dioctyl adipate 665.26
    dimethyl sulfate 550.32
    ethyl butyrate 2765.8
    methyl lactate 876.9
    butyl lactate 1253.71
    diethyl carbonate 1045.35
    propanediol butyl ether 1826.17
    triethyl orthoformate 1573.75
    p-tert-butyltoluene 568.36
    methyl 4-tert-butylbenzoate 671.05
    morpholine 6098.43
    tert-butylamine 6949.0
    n-dodecanol 524.11
    dimethoxymethane 2270.23
    ethylene carbonate 1562.48
    cyrene 678.81
    2-ethoxyethyl acetate 1371.53
    2-ethylhexyl acetate 2594.27
    1,2,4-trichlorobenzene 952.38
    4-methylpyridine 2630.7
    dibutyl ether 2243.09
    2,6-dimethyl-4-heptanol 1564.96
    DEF 2952.6
    dimethyl isosorbide 1398.16
    tetrachloroethylene 2923.13
    eugenol 671.04
    triacetin 873.25
    span 80 1310.46
    1,4-butanediol 1586.36
    1,1-dichloroethane 3213.61
    2-methyl-1-pentanol 3025.3
    methyl formate 1592.87
    2-methyl-1-butanol 5699.72
    n-decane 232.02
    butyronitrile 5147.7
    3,7-dimethyl-1-octanol 1554.36
    1-chlorooctane 825.85
    1-chlorotetradecane 221.72
    n-nonane 281.47
    undecane 141.14
    tert-butylcyclohexane 511.4
    cyclooctane 441.39
    cyclopentanol 5895.83
    tetrahydropyran 7522.26
    tert-amyl methyl ether 2741.7
    2,5,8-trioxanonane 1515.45
    1-hexene 3763.32
    2-isopropoxyethanol 2131.74
    2,2,2-trifluoroethanol 745.15
    methyl butyrate 2947.0

    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
Michelia yunnanensis flower headspace (China) Michelia yunnanensis Franch. ex Finet et Gagnep., fam. Magnoliaceae 0.56%
Decalepis hamiltonii root (India) Decalepis hamiltonii (Wight & Arn), fam. Asclepiadaceae 0.21%