5-Methyl-1-hexanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    627-98-5

    Molecular formula
    C7H16O

    SMILES
    CC(C)CCCCO

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 72.12%
    Green 68.21%
    Fermented 63.29%
    Alcoholic 57.82%
    Herbal 53.66%
    Sweet 48.43%
    Fruity 47.86%
    Musty 43.65%
    Pungent 42.68%
    Solvent 42.58%

     

    Flavor
    Green 46.2%
    Fruity 42.11%
    Bitter 38.39%
    Herbal 32.15%
    Mushroom 31.31%
    Fresh 31.31%
    Musty 30.52%
    Ethereal 30.41%
    Fusel 30.05%
    Oily 29.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.95 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    171°C

    Flash point

    • 65.35 ˚C est.

  • Synonyms

    • 5-METHYL-1-HEXANOL
    • 5-methylhexanol
    • 5-Methylhexan-1-ol
    • 627-98-5
    • Isoheptanol
    • Isoheptan-1-ol
    • 51774-11-9
    • 1-Hexanol, 5-methyl-
    • 5-Methylhexanol-d7
    • 5-Methyl-hexan-1-ol
    • MFCD00072703
    • 1PLY0QE25K
    • Q766MX3689
    • 5-Methyl-1-hexanol;
    • 947140-89-8
    • isoheptyl alcohol
    • EINECS 257-413-6
    • EINECS 211-023-2
    • Alcohols,c6-8-branched
    • EXXAL 7
    • UNII-1PLY0QE25K
    • 5-Methyl-1-hexanol, 97%
    • SCHEMBL104527
    • UNII-Q766MX3689
    • DTXSID501031584
    • GEO-01853
    • AKOS009156368
    • CS-W011227
    • FS-5402
    • SY083602
    • DB-254963
    • NS00020522
    • D94723
    • EN300-126439

  • Applications

    5-Methyl-1-hexanol (CAS number: 627-98-5) is a branched primary alcohol widely used as a solvent and as an intermediate in chemical synthesis. In the fragrance and flavor industries, it is commonly used to prepare esters that impart fruity and floral notes, and it also serves as a solvent for aroma ingredients. In cosmetics and personal care, it functions as a solvent and carrier for active ingredients and fragrances. In coatings, inks, and adhesives, it is employed as a processing solvent to dissolve resins and improve flow and leveling. In industrial manufacturing, it can act as a reaction solvent or building block for the synthesis of specialty chemicals; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2287.18
    methanol 1090.1
    isopropanol 2210.94
    water 0.7
    ethyl acetate 694.95
    n-propanol 1944.88
    acetone 1189.03
    n-butanol 2222.57
    acetonitrile 665.38
    DMF 670.05
    toluene 149.57
    isobutanol 1488.81
    1,4-dioxane 1168.99
    methyl acetate 518.99
    THF 2902.36
    2-butanone 826.44
    n-pentanol 957.4
    sec-butanol 1558.31
    n-hexane 250.83
    ethylene glycol 269.95
    NMP 625.35
    cyclohexane 312.6
    DMSO 1283.91
    n-butyl acetate 1215.96
    n-octanol 468.43
    chloroform 1368.21
    n-propyl acetate 496.99
    acetic acid 1131.62
    dichloromethane 1194.12
    cyclohexanone 1433.33
    propylene glycol 612.05
    isopropyl acetate 416.27
    DMAc 299.71
    2-ethoxyethanol 683.6
    isopentanol 1588.31
    n-heptane 419.0
    ethyl formate 558.37
    1,2-dichloroethane 710.88
    n-hexanol 1931.26
    2-methoxyethanol 1410.56
    isobutyl acetate 293.9
    tetrachloromethane 306.7
    n-pentyl acetate 408.31
    transcutol 1551.74
    n-heptanol 617.12
    ethylbenzene 96.29
    MIBK 438.67
    2-propoxyethanol 1474.13
    tert-butanol 2268.98
    MTBE 909.08
    2-butoxyethanol 714.52
    propionic acid 939.96
    o-xylene 112.71
    formic acid 188.79
    diethyl ether 853.13
    m-xylene 135.58
    p-xylene 133.44
    chlorobenzene 257.66
    dimethyl carbonate 87.9
    n-octane 84.75
    formamide 209.27
    cyclopentanone 1494.37
    2-pentanone 825.74
    anisole 206.56
    cyclopentyl methyl ether 967.66
    gamma-butyrolactone 1338.3
    1-methoxy-2-propanol 1173.26
    pyridine 622.58
    3-pentanone 396.86
    furfural 764.93
    n-dodecane 47.33
    diethylene glycol 721.33
    diisopropyl ether 263.12
    tert-amyl alcohol 1231.6
    acetylacetone 532.31
    n-hexadecane 52.11
    acetophenone 178.81
    methyl propionate 393.99
    isopentyl acetate 897.22
    trichloroethylene 1123.06
    n-nonanol 366.1
    cyclohexanol 1352.27
    benzyl alcohol 212.28
    2-ethylhexanol 1013.68
    isooctanol 442.23
    dipropyl ether 1105.02
    1,2-dichlorobenzene 223.06
    ethyl lactate 188.05
    propylene carbonate 714.1
    n-methylformamide 485.17
    2-pentanol 1219.68
    n-pentane 252.93
    1-propoxy-2-propanol 1396.8
    1-methoxy-2-propyl acetate 627.72
    2-(2-methoxypropoxy) propanol 387.9
    mesitylene 97.01
    ε-caprolactone 1003.62
    p-cymene 167.89
    epichlorohydrin 1317.28
    1,1,1-trichloroethane 696.03
    2-aminoethanol 727.41
    morpholine-4-carbaldehyde 686.99
    sulfolane 1263.06
    2,2,4-trimethylpentane 103.47
    2-methyltetrahydrofuran 1984.04
    n-hexyl acetate 543.65
    isooctane 96.52
    2-(2-butoxyethoxy)ethanol 663.82
    sec-butyl acetate 277.55
    tert-butyl acetate 446.59
    decalin 92.91
    glycerin 558.08
    diglyme 978.72
    acrylic acid 527.72
    isopropyl myristate 210.81
    n-butyric acid 1900.62
    acetyl acetate 286.77
    di(2-ethylhexyl) phthalate 173.41
    ethyl propionate 330.31
    nitromethane 904.76
    1,2-diethoxyethane 688.96
    benzonitrile 320.91
    trioctyl phosphate 179.04
    1-bromopropane 722.23
    gamma-valerolactone 1483.06
    n-decanol 262.13
    triethyl phosphate 197.41
    4-methyl-2-pentanol 541.18
    propionitrile 719.98
    vinylene carbonate 476.9
    1,1,2-trichlorotrifluoroethane 741.17
    DMS 203.05
    cumene 83.51
    2-octanol 349.26
    2-hexanone 550.28
    octyl acetate 263.98
    limonene 396.87
    1,2-dimethoxyethane 939.25
    ethyl orthosilicate 216.54
    tributyl phosphate 210.6
    diacetone alcohol 646.65
    N,N-dimethylaniline 127.14
    acrylonitrile 570.49
    aniline 314.82
    1,3-propanediol 1193.74
    bromobenzene 238.85
    dibromomethane 975.83
    1,1,2,2-tetrachloroethane 904.24
    2-methyl-cyclohexyl acetate 415.98
    tetrabutyl urea 239.18
    diisobutyl methanol 475.07
    2-phenylethanol 358.54
    styrene 115.13
    dioctyl adipate 282.69
    dimethyl sulfate 138.09
    ethyl butyrate 680.23
    methyl lactate 220.36
    butyl lactate 349.2
    diethyl carbonate 308.76
    propanediol butyl ether 588.88
    triethyl orthoformate 429.43
    p-tert-butyltoluene 174.0
    methyl 4-tert-butylbenzoate 258.06
    morpholine 1657.82
    tert-butylamine 1497.33
    n-dodecanol 195.93
    dimethoxymethane 443.31
    ethylene carbonate 464.35
    cyrene 267.35
    2-ethoxyethyl acetate 363.21
    2-ethylhexyl acetate 650.16
    1,2,4-trichlorobenzene 259.37
    4-methylpyridine 530.74
    dibutyl ether 544.99
    2,6-dimethyl-4-heptanol 475.07
    DEF 596.41
    dimethyl isosorbide 606.26
    tetrachloroethylene 600.39
    eugenol 253.84
    triacetin 310.96
    span 80 547.83
    1,4-butanediol 340.1
    1,1-dichloroethane 858.41
    2-methyl-1-pentanol 650.07
    methyl formate 282.34
    2-methyl-1-butanol 1290.11
    n-decane 85.82
    butyronitrile 1141.19
    3,7-dimethyl-1-octanol 439.61
    1-chlorooctane 254.22
    1-chlorotetradecane 90.22
    n-nonane 94.48
    undecane 61.54
    tert-butylcyclohexane 105.07
    cyclooctane 95.31
    cyclopentanol 1619.93
    tetrahydropyran 2000.32
    tert-amyl methyl ether 545.46
    2,5,8-trioxanonane 611.57
    1-hexene 574.96
    2-isopropoxyethanol 459.43
    2,2,2-trifluoroethanol 207.05
    methyl butyrate 533.35

    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
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.1%