2,3,4-Trimethyl-1-pentanol

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  • Identifiers

    CAS number
    6570-88-3

    Molecular formula
    C8H18O

    SMILES
    CC(C)C(C)C(C)CO

    Safety labels

  • Odor profile

    Fragrance
    Floral 47.84%
    Woody 45.76%
    Green 39.05%
    Mint 35.55%
    Fermented 34.9%
    Herbal 34.37%
    Oily 33.82%
    Rose 33.34%
    Camphoreous 32.63%
    Fresh 31.69%

     

    Flavor
    Green 32.68%
    Fresh 31.1%
    Mild 26.65%
    Citrus 25.73%
    Yeasty 24.6%
    Fruity 24.4%
    Fermented 23.95%
    Leathery 23.16%
    Ethereal 22.81%
    Oily 22.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.4 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    178°C

    Flash point

    • 71.2 ˚C est.

  • Synonyms

    • 2,3,4-Trimethyl-1-pentanol
    • 6570-88-3
    • 1-Pentanol, 2,3,4-trimethyl-
    • RefChem:1059209
    • 2,3,4-trimethylpentan-1-ol
    • SCHEMBL2980359
    • SCHEMBL3546586
    • DTXSID10984246
    • CHEBI:229280
    • PAZDSSMTPLLLIR-UHFFFAOYSA-N
    • 6570-88-3

  • Applications

    2,3,4-Trimethyl-1-pentanol is commonly considered as an intermediate and fragrance component in the perfumery industry, used or evaluated for the synthesis of fragrant esters for perfumes and aroma applications. It may also serve as a solvent or co-component in cosmetic and personal care formulations, in the form of the alcohol or as an intermediate solvent. Additionally, the chemical is evaluated for other industrial applications such as a feedstock for ester synthesis used in fragrance and polymer-related systems in coatings and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.93
    methanol 436.89
    isopropanol 530.88
    water 1.75
    ethyl acetate 221.31
    n-propanol 499.31
    acetone 205.63
    n-butanol 444.28
    acetonitrile 233.9
    DMF 128.16
    toluene 83.18
    isobutanol 358.29
    1,4-dioxane 632.35
    methyl acetate 238.77
    THF 848.08
    2-butanone 260.43
    n-pentanol 245.52
    sec-butanol 431.51
    n-hexane 89.53
    ethylene glycol 93.51
    NMP 257.58
    cyclohexane 114.99
    DMSO 232.19
    n-butyl acetate 395.1
    n-octanol 210.55
    chloroform 587.43
    n-propyl acetate 177.75
    acetic acid 288.03
    dichloromethane 361.73
    cyclohexanone 416.57
    propylene glycol 151.39
    isopropyl acetate 147.42
    DMAc 115.84
    2-ethoxyethanol 250.1
    isopentanol 358.97
    n-heptane 118.53
    ethyl formate 163.2
    1,2-dichloroethane 245.16
    n-hexanol 625.71
    2-methoxyethanol 379.67
    isobutyl acetate 123.67
    tetrachloromethane 218.98
    n-pentyl acetate 194.28
    transcutol 603.15
    n-heptanol 276.39
    ethylbenzene 68.17
    MIBK 134.7
    2-propoxyethanol 583.33
    tert-butanol 651.81
    MTBE 416.0
    2-butoxyethanol 345.31
    propionic acid 293.65
    o-xylene 78.0
    formic acid 85.95
    diethyl ether 297.28
    m-xylene 79.04
    p-xylene 91.02
    chlorobenzene 149.39
    dimethyl carbonate 33.84
    n-octane 40.97
    formamide 82.76
    cyclopentanone 472.85
    2-pentanone 189.95
    anisole 126.03
    cyclopentyl methyl ether 332.54
    gamma-butyrolactone 494.22
    1-methoxy-2-propanol 293.4
    pyridine 281.21
    3-pentanone 141.64
    furfural 334.03
    n-dodecane 22.7
    diethylene glycol 312.4
    diisopropyl ether 119.39
    tert-amyl alcohol 487.56
    acetylacetone 149.56
    n-hexadecane 25.02
    acetophenone 105.04
    methyl propionate 140.34
    isopentyl acetate 348.99
    trichloroethylene 440.14
    n-nonanol 175.61
    cyclohexanol 366.87
    benzyl alcohol 109.94
    2-ethylhexanol 359.87
    isooctanol 229.36
    dipropyl ether 321.03
    1,2-dichlorobenzene 147.55
    ethyl lactate 84.84
    propylene carbonate 246.51
    n-methylformamide 140.93
    2-pentanol 301.19
    n-pentane 79.63
    1-propoxy-2-propanol 488.55
    1-methoxy-2-propyl acetate 242.92
    2-(2-methoxypropoxy) propanol 191.78
    mesitylene 64.42
    ε-caprolactone 360.26
    p-cymene 103.16
    epichlorohydrin 441.51
    1,1,1-trichloroethane 365.58
    2-aminoethanol 226.73
    morpholine-4-carbaldehyde 285.4
    sulfolane 498.47
    2,2,4-trimethylpentane 53.48
    2-methyltetrahydrofuran 645.65
    n-hexyl acetate 252.0
    isooctane 47.73
    2-(2-butoxyethoxy)ethanol 305.7
    sec-butyl acetate 120.48
    tert-butyl acetate 195.05
    decalin 52.89
    glycerin 171.49
    diglyme 448.84
    acrylic acid 184.52
    isopropyl myristate 101.82
    n-butyric acid 423.85
    acetyl acetate 109.99
    di(2-ethylhexyl) phthalate 89.37
    ethyl propionate 128.35
    nitromethane 261.82
    1,2-diethoxyethane 258.01
    benzonitrile 168.12
    trioctyl phosphate 87.82
    1-bromopropane 237.34
    gamma-valerolactone 510.69
    n-decanol 127.67
    triethyl phosphate 92.85
    4-methyl-2-pentanol 189.6
    propionitrile 269.15
    vinylene carbonate 196.25
    1,1,2-trichlorotrifluoroethane 306.03
    DMS 106.38
    cumene 68.11
    2-octanol 179.33
    2-hexanone 185.93
    octyl acetate 124.84
    limonene 175.19
    1,2-dimethoxyethane 341.82
    ethyl orthosilicate 103.03
    tributyl phosphate 91.88
    diacetone alcohol 235.03
    N,N-dimethylaniline 83.96
    acrylonitrile 222.2
    aniline 147.62
    1,3-propanediol 340.99
    bromobenzene 140.13
    dibromomethane 308.87
    1,1,2,2-tetrachloroethane 390.89
    2-methyl-cyclohexyl acetate 192.01
    tetrabutyl urea 96.51
    diisobutyl methanol 205.24
    2-phenylethanol 203.77
    styrene 67.55
    dioctyl adipate 115.24
    dimethyl sulfate 60.62
    ethyl butyrate 227.36
    methyl lactate 81.69
    butyl lactate 159.22
    diethyl carbonate 121.94
    propanediol butyl ether 216.84
    triethyl orthoformate 173.32
    p-tert-butyltoluene 103.61
    methyl 4-tert-butylbenzoate 154.08
    morpholine 637.13
    tert-butylamine 497.66
    n-dodecanol 95.88
    dimethoxymethane 120.49
    ethylene carbonate 187.68
    cyrene 141.17
    2-ethoxyethyl acetate 187.25
    2-ethylhexyl acetate 266.34
    1,2,4-trichlorobenzene 170.88
    4-methylpyridine 224.77
    dibutyl ether 191.62
    2,6-dimethyl-4-heptanol 205.24
    DEF 157.2
    dimethyl isosorbide 303.33
    tetrachloroethylene 316.51
    eugenol 154.42
    triacetin 141.02
    span 80 218.31
    1,4-butanediol 119.11
    1,1-dichloroethane 337.45
    2-methyl-1-pentanol 211.55
    methyl formate 97.06
    2-methyl-1-butanol 319.48
    n-decane 42.32
    butyronitrile 322.84
    3,7-dimethyl-1-octanol 203.51
    1-chlorooctane 131.44
    1-chlorotetradecane 46.89
    n-nonane 45.84
    undecane 29.68
    tert-butylcyclohexane 66.14
    cyclooctane 41.1
    cyclopentanol 413.83
    tetrahydropyran 677.22
    tert-amyl methyl ether 252.93
    2,5,8-trioxanonane 273.93
    1-hexene 190.26
    2-isopropoxyethanol 207.62
    2,2,2-trifluoroethanol 102.24
    methyl butyrate 176.6

    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