3-Methyl-1-pentanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    589-35-5

    Molecular formula
    C6H14O

    SMILES
    CCC(C)CCO

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1298.5

  • Odor profile

    Green 86.2%
    Fruity 84.98%
    Fermented 72.06%
    Alcoholic 66.55%
    Oily 61.05%
    Ethereal 60.58%
    Winey 55.83%
    Pungent 52.93%
    Herbal 46.74%
    Cognac 45.95%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    9.13 (weak base)

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 151.00 to 152.00 °C. @ 760.00 mm Hg

    Flash point est.
    49.18 ˚C

  • Synonyms

    • 3-METHYL-1-PENTANOL
    • 3-Methylpentan-1-ol
    • 589-35-5
    • 3-Methylpentanol
    • 2-Ethyl-4-butanol
    • 3-Ethyl-1-butanol
    • 1-Pentanol, 3-methyl-
    • 3-Ethylbutanol
    • FEMA No. 3762
    • UNII-N8W93SI0FS
    • N8W93SI0FS
    • MFCD00002937
    • (+/-)-3-methyl-1-pentanol
    • NSC 9466
    • NSC-9466
    • EINECS 209-644-9
    • AI3-38563
    • CHEBI:87381
    • DTXSID20862248
    • (DL)-3-METHYLPENTYL ALCOHOL
    • 20281-83-8
    • NSC9466
    • 3-methyl pentanol
    • 3-methyl pentan-1-ol
    • 3-Methyl-pentan-1-ol
    • SCHEMBL14990
    • 3-Methyl-1-pentanol, 99%
    • SCHEMBL8988208
    • DTXCID50811042
    • 3-Methyl-(.+/-.)-1-Pentanol
    • LMFA05000111
    • 3-Methyl-1-pentanol, >=99%, FG
    • AKOS009156537
    • SB83830
    • 1-Pentanol, 3-methyl-, (.+/-.)-
    • BS-23125
    • SY061820
    • DB-050838
    • CS-0204814
    • M0600
    • NS00012960
    • D91364
    • EN300-140256
    • Q3278324

  • Applications

    3-Methyl-1-pentanol (also known as isohexyl alcohol, CAS 589-35-5) is a branched six-carbon alcohol employed widely as a neutral solvent for nitrocellulose coatings, printing inks and adhesives thanks to its balanced solvency and moderate evaporation rate; in the flavour and fragrance industry it serves as a tone modifier that imparts subtle fruity, floral and spirit-like notes to foods, beverages and cosmetics; in organic synthesis the compound acts as a versatile intermediate for producing isohexyl esters that become surfactants, plasticisers, lubricants and lube-oil additives; in pharmaceutical and agrochemical research it helps to derivatise active molecules, enhance solubility and improve bioavailability; beyond these uses, 3-methyl-1-pentanol is being investigated as a biofuel blending component, an aroma carrier in e-cigarette formulations and a transfer medium or diluent in chromatographic analysis.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1190.77
    methanol 1117.7
    isopropanol 1063.48
    water 3.01
    ethyl acetate 314.94
    n-propanol 1008.95
    acetone 418.58
    n-butanol 904.69
    acetonitrile 326.05
    DMF 308.04
    toluene 76.81
    isobutanol 728.0
    1,4-dioxane 740.13
    methyl acetate 321.87
    THF 1115.64
    2-butanone 371.07
    n-pentanol 461.05
    sec-butanol 785.15
    n-hexane 86.46
    ethylene glycol 288.17
    NMP 376.26
    cyclohexane 102.91
    DMSO 626.25
    n-butyl acetate 527.21
    n-octanol 246.25
    chloroform 664.79
    n-propyl acetate 235.23
    acetic acid 727.25
    dichloromethane 387.18
    cyclohexanone 597.15
    propylene glycol 430.23
    isopropyl acetate 193.25
    DMAc 180.31
    2-ethoxyethanol 419.38
    isopentanol 668.81
    n-heptane 121.26
    ethyl formate 239.37
    1,2-dichloroethane 249.6
    n-hexanol 1064.43
    2-methoxyethanol 811.8
    isobutyl acetate 164.0
    tetrachloromethane 214.55
    n-pentyl acetate 195.09
    transcutol 929.78
    n-heptanol 337.94
    ethylbenzene 51.61
    MIBK 179.89
    2-propoxyethanol 979.47
    tert-butanol 1219.01
    MTBE 446.4
    2-butoxyethanol 466.98
    propionic acid 659.36
    o-xylene 66.12
    formic acid 236.93
    diethyl ether 317.12
    m-xylene 72.81
    p-xylene 69.31
    chlorobenzene 156.3
    dimethyl carbonate 47.88
    n-octane 33.06
    formamide 188.85
    cyclopentanone 623.23
    2-pentanone 269.44
    anisole 125.83
    cyclopentyl methyl ether 414.53
    gamma-butyrolactone 666.27
    1-methoxy-2-propanol 589.09
    pyridine 352.66
    3-pentanone 160.97
    furfural 461.92
    n-dodecane 20.61
    diethylene glycol 613.7
    diisopropyl ether 112.58
    tert-amyl alcohol 751.22
    acetylacetone 221.4
    n-hexadecane 22.4
    acetophenone 109.05
    methyl propionate 201.85
    isopentyl acetate 398.12
    trichloroethylene 485.73
    n-nonanol 207.16
    cyclohexanol 648.46
    benzyl alcohol 150.76
    2-ethylhexanol 489.55
    isooctanol 256.2
    dipropyl ether 389.28
    1,2-dichlorobenzene 140.93
    ethyl lactate 120.18
    propylene carbonate 319.65
    n-methylformamide 312.15
    2-pentanol 539.26
    n-pentane 79.4
    1-propoxy-2-propanol 808.63
    1-methoxy-2-propyl acetate 318.57
    2-(2-methoxypropoxy) propanol 255.57
    mesitylene 53.79
    ε-caprolactone 487.71
    p-cymene 83.31
    epichlorohydrin 544.47
    1,1,1-trichloroethane 357.48
    2-aminoethanol 623.34
    morpholine-4-carbaldehyde 421.46
    sulfolane 682.82
    2,2,4-trimethylpentane 46.22
    2-methyltetrahydrofuran 825.55
    n-hexyl acetate 266.13
    isooctane 45.88
    2-(2-butoxyethoxy)ethanol 412.19
    sec-butyl acetate 142.94
    tert-butyl acetate 232.52
    decalin 41.78
    glycerin 445.8
    diglyme 599.83
    acrylic acid 429.68
    isopropyl myristate 102.97
    n-butyric acid 858.44
    acetyl acetate 153.57
    di(2-ethylhexyl) phthalate 99.69
    ethyl propionate 151.52
    nitromethane 519.29
    1,2-diethoxyethane 323.46
    benzonitrile 208.79
    trioctyl phosphate 95.56
    1-bromopropane 234.13
    gamma-valerolactone 695.39
    n-decanol 152.73
    triethyl phosphate 90.38
    4-methyl-2-pentanol 272.19
    propionitrile 382.04
    vinylene carbonate 266.14
    1,1,2-trichlorotrifluoroethane 467.62
    DMS 119.94
    cumene 50.15
    2-octanol 193.43
    2-hexanone 244.09
    octyl acetate 137.69
    limonene 161.73
    1,2-dimethoxyethane 461.28
    ethyl orthosilicate 102.74
    tributyl phosphate 104.06
    diacetone alcohol 366.61
    N,N-dimethylaniline 76.47
    acrylonitrile 347.18
    aniline 195.14
    1,3-propanediol 792.7
    bromobenzene 126.54
    dibromomethane 320.83
    1,1,2,2-tetrachloroethane 466.8
    2-methyl-cyclohexyl acetate 192.88
    tetrabutyl urea 111.9
    diisobutyl methanol 234.42
    2-phenylethanol 255.3
    styrene 59.38
    dioctyl adipate 125.32
    dimethyl sulfate 84.07
    ethyl butyrate 272.68
    methyl lactate 150.58
    butyl lactate 196.79
    diethyl carbonate 138.17
    propanediol butyl ether 354.41
    triethyl orthoformate 192.72
    p-tert-butyltoluene 83.7
    methyl 4-tert-butylbenzoate 150.45
    morpholine 874.88
    tert-butylamine 768.12
    n-dodecanol 114.82
    dimethoxymethane 198.59
    ethylene carbonate 240.66
    cyrene 167.14
    2-ethoxyethyl acetate 202.32
    2-ethylhexyl acetate 287.64
    1,2,4-trichlorobenzene 167.55
    4-methylpyridine 282.92
    dibutyl ether 203.8
    2,6-dimethyl-4-heptanol 234.42
    DEF 237.81
    dimethyl isosorbide 364.45
    tetrachloroethylene 370.17
    eugenol 170.55
    triacetin 168.71
    span 80 325.95
    1,4-butanediol 264.88
    1,1-dichloroethane 366.18
    2-methyl-1-pentanol 336.25
    methyl formate 179.17
    2-methyl-1-butanol 584.54
    n-decane 37.08
    butyronitrile 434.43
    3,7-dimethyl-1-octanol 244.45
    1-chlorooctane 119.74
    1-chlorotetradecane 44.43
    n-nonane 38.52
    undecane 26.66
    tert-butylcyclohexane 52.61
    cyclooctane 32.85
    cyclopentanol 807.5
    tetrahydropyran 816.62
    tert-amyl methyl ether 263.54
    2,5,8-trioxanonane 388.66
    1-hexene 215.45
    2-isopropoxyethanol 314.67
    2,2,2-trifluoroethanol 186.33
    methyl butyrate 231.54

    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
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.28%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Rose (China) 1a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (China) 1b 8007-01-0 Rosa species (France), fam. Rosaceae 0.02%
Rose (China) 1c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.05%
Rose (China) 1d 8007-01-0 Rosa species (Moroccan), fam. Rosaceae 0.06%
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.19%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.35%