4-Methyl-1-pentanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    626-89-1

    Molecular formula
    C6H14O

    SMILES
    CC(C)CCCO

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1282.0

  • Odor profile

    Fermented 77.85%
    Oily 71.11%
    Alcoholic 69.49%
    Green 62.88%
    Fruity 61.01%
    Ethereal 54.68%
    Solvent 53.88%
    Herbal 50.28%
    Pungent 49.77%
    Winey 42.58%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    152°C

    Flash point est.
    50.72 ˚C

  • Synonyms

    • 4-METHYL-1-PENTANOL
    • 4-Methylpentan-1-ol
    • 626-89-1
    • Isohexanol
    • 4-Methylpentanol
    • Isohexyl alcohol
    • 2-Methyl-5-pentanol
    • 1-Pentanol, 4-methyl-
    • iso-Hexanol
    • Pentanol, 4-methyl-
    • 4-Methyl-pentan-1-ol
    • 1320-98-5
    • EINECS 210-969-3
    • NSC 91492
    • BRN 1731303
    • X796XFP7D4
    • DTXSID0044313
    • CHEBI:63910
    • AI3-38564
    • MFCD00002962
    • NSC-91492
    • 4-METHYLAMYL ALCOHOL
    • DTXCID608683
    • 4-01-00-01721 (Beilstein Handbook Reference)
    • UNII-X796XFP7D4
    • 4-Methyl-1-pentanol; Anglamol 6085U; NSC 91492; iso-Hexanol;
    • Pentanol, 4methyl
    • NSC91492
    • SCHEMBL23739
    • 4-Methyl-1-pentanol, 97%
    • 1-Pentanol, 4-methyl-(9CI)
    • CHEMBL2260955
    • DTXCID301515857
    • DTXSID201030787
    • BCP06801
    • Tox21_301292
    • GEO-01904
    • LMFA05000541
    • AKOS000120019
    • CS-W007511
    • FI24678
    • HY-W007511
    • NCGC00257551-01
    • CAS-626-89-1
    • CS-17323
    • SY016761
    • DB-073173
    • M0775
    • NS00022562
    • EN300-19997
    • F20439
    • 4-Methyl-1-pentanol;Anglamol 6085U;NSC 91492
    • Q3278329
    • 210-969-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 525.32
    methanol 569.19
    isopropanol 463.71
    water 2.34
    ethyl acetate 119.01
    n-propanol 456.66
    acetone 186.67
    n-butanol 445.05
    acetonitrile 102.99
    DMF 171.57
    toluene 43.02
    isobutanol 328.91
    1,4-dioxane 254.07
    methyl acetate 122.92
    THF 477.5
    2-butanone 158.64
    n-pentanol 237.29
    sec-butanol 377.65
    n-hexane 58.55
    ethylene glycol 190.84
    NMP 193.18
    cyclohexane 50.58
    DMSO 257.24
    n-butyl acetate 276.88
    n-octanol 165.02
    chloroform 321.64
    n-propyl acetate 103.61
    acetic acid 292.24
    dichloromethane 176.85
    cyclohexanone 249.22
    propylene glycol 286.17
    isopropyl acetate 84.95
    DMAc 111.24
    2-ethoxyethanol 223.52
    isopentanol 328.49
    n-heptane 90.12
    ethyl formate 103.06
    1,2-dichloroethane 112.77
    n-hexanol 617.42
    2-methoxyethanol 429.22
    isobutyl acetate 84.03
    tetrachloromethane 99.37
    n-pentyl acetate 107.56
    transcutol 497.3
    n-heptanol 217.5
    ethylbenzene 33.54
    MIBK 94.09
    2-propoxyethanol 569.8
    tert-butanol 549.06
    MTBE 222.75
    2-butoxyethanol 286.35
    propionic acid 276.92
    o-xylene 39.35
    formic acid 112.36
    diethyl ether 134.81
    m-xylene 45.87
    p-xylene 44.64
    chlorobenzene 72.43
    dimethyl carbonate 27.24
    n-octane 24.4
    formamide 76.81
    cyclopentanone 287.81
    2-pentanone 133.81
    anisole 74.48
    cyclopentyl methyl ether 191.05
    gamma-butyrolactone 262.69
    1-methoxy-2-propanol 334.93
    pyridine 148.58
    3-pentanone 80.75
    furfural 228.59
    n-dodecane 15.62
    diethylene glycol 378.15
    diisopropyl ether 56.04
    tert-amyl alcohol 376.48
    acetylacetone 102.07
    n-hexadecane 16.61
    acetophenone 68.24
    methyl propionate 91.71
    isopentyl acetate 229.3
    trichloroethylene 220.32
    n-nonanol 133.84
    cyclohexanol 284.85
    benzyl alcohol 90.44
    2-ethylhexanol 298.73
    isooctanol 163.06
    dipropyl ether 222.54
    1,2-dichlorobenzene 73.53
    ethyl lactate 77.31
    propylene carbonate 156.01
    n-methylformamide 141.09
    2-pentanol 261.04
    n-pentane 47.08
    1-propoxy-2-propanol 477.99
    1-methoxy-2-propyl acetate 180.16
    2-(2-methoxypropoxy) propanol 176.66
    mesitylene 36.04
    ε-caprolactone 210.45
    p-cymene 59.09
    epichlorohydrin 222.64
    1,1,1-trichloroethane 153.6
    2-aminoethanol 354.24
    morpholine-4-carbaldehyde 224.72
    sulfolane 305.06
    2,2,4-trimethylpentane 28.86
    2-methyltetrahydrofuran 334.92
    n-hexyl acetate 156.21
    isooctane 29.7
    2-(2-butoxyethoxy)ethanol 266.87
    sec-butyl acetate 72.96
    tert-butyl acetate 115.72
    decalin 27.2
    glycerin 294.21
    diglyme 343.09
    acrylic acid 199.16
    isopropyl myristate 64.04
    n-butyric acid 376.52
    acetyl acetate 66.72
    di(2-ethylhexyl) phthalate 71.93
    ethyl propionate 74.33
    nitromethane 168.91
    1,2-diethoxyethane 151.47
    benzonitrile 103.91
    trioctyl phosphate 66.21
    1-bromopropane 121.99
    gamma-valerolactone 322.83
    n-decanol 100.39
    triethyl phosphate 63.12
    4-methyl-2-pentanol 153.45
    propionitrile 154.28
    vinylene carbonate 129.37
    1,1,2-trichlorotrifluoroethane 256.68
    DMS 68.43
    cumene 35.53
    2-octanol 125.27
    2-hexanone 124.49
    octyl acetate 84.32
    limonene 105.24
    1,2-dimethoxyethane 232.13
    ethyl orthosilicate 70.7
    tributyl phosphate 69.04
    diacetone alcohol 199.7
    N,N-dimethylaniline 53.53
    acrylonitrile 141.78
    aniline 94.02
    1,3-propanediol 407.96
    bromobenzene 61.9
    dibromomethane 156.45
    1,1,2,2-tetrachloroethane 227.48
    2-methyl-cyclohexyl acetate 124.92
    tetrabutyl urea 80.26
    diisobutyl methanol 151.68
    2-phenylethanol 154.3
    styrene 36.86
    dioctyl adipate 83.21
    dimethyl sulfate 47.36
    ethyl butyrate 152.54
    methyl lactate 96.45
    butyl lactate 128.05
    diethyl carbonate 81.44
    propanediol butyl ether 255.22
    triethyl orthoformate 119.42
    p-tert-butyltoluene 62.97
    methyl 4-tert-butylbenzoate 104.84
    morpholine 329.39
    tert-butylamine 366.96
    n-dodecanol 76.56
    dimethoxymethane 110.28
    ethylene carbonate 108.19
    cyrene 119.75
    2-ethoxyethyl acetate 111.49
    2-ethylhexyl acetate 169.11
    1,2,4-trichlorobenzene 86.7
    4-methylpyridine 130.28
    dibutyl ether 113.27
    2,6-dimethyl-4-heptanol 151.68
    DEF 118.13
    dimethyl isosorbide 240.01
    tetrachloroethylene 175.38
    eugenol 122.94
    triacetin 107.58
    span 80 219.65
    1,4-butanediol 152.8
    1,1-dichloroethane 164.63
    2-methyl-1-pentanol 182.61
    methyl formate 84.0
    2-methyl-1-butanol 291.14
    n-decane 26.29
    butyronitrile 194.04
    3,7-dimethyl-1-octanol 157.93
    1-chlorooctane 76.77
    1-chlorotetradecane 30.99
    n-nonane 27.38
    undecane 19.34
    tert-butylcyclohexane 37.35
    cyclooctane 19.93
    cyclopentanol 338.59
    tetrahydropyran 304.52
    tert-amyl methyl ether 147.74
    2,5,8-trioxanonane 243.69
    1-hexene 122.72
    2-isopropoxyethanol 175.53
    2,2,2-trifluoroethanol 80.58
    methyl butyrate 111.63

    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
Machilus bombycina Machilus bombicyna King, fam. Lauraceae 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.05%