2,3-Dimethylpentan-3-ol

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  • Identifiers

    CAS number
    595-41-5

    Molecular formula
    C7H16O

    SMILES
    CCC(C)(C(C)C)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 60.85%
    Camphoreous 47.93%
    Fermented 46.86%
    Sweet 44.54%
    Ethereal 43.54%
    Green 41.03%
    Mint 39.95%
    Earthy 39.59%
    Fresh 37.27%
    Musty 36.95%

     

    Flavor
    Fruity 55.95%
    Green 53.19%
    Oily 29.95%
    Tropical 26.64%
    Floral 25.94%
    Leafy 25.68%
    Woody 24.91%
    Pungent 22.67%
    Fermented 22.59%
    Citrus 22.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    10.68 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    139°C

    Flash point

    • 36.12 ˚C est.

  • Synonyms

    • 2,3-DIMETHYL-3-PENTANOL
    • 2,3-Dimethylpentan-3-ol
    • EINECS 209-866-6
    • DTXSID70870656
    • RefChem:81862
    • DTXCID70818356
    • 209-866-6
    • RFZHJHSNHYIRNE-UHFFFAOYSA-N
    • 595-41-5
    • 3-Pentanol, 2,3-dimethyl-
    • 2,3-dimethyl-pentan-3-ol
    • SCHEMBL22300
    • SCHEMBL277630
    • SCHEMBL2322801
    • 2,3-Dimethyl-3-pentanol, 99%
    • AKOS009158516
    • NS00042767
    • 595-41-5

  • Applications

    2,3-Dimethylpentan-3-ol (CAS 595-41-5) is a branched tertiary alcohol primarily used as an intermediate in organic synthesis and can function as a specialty solvent or co-solvent in various formulations. It is commonly evaluated for fragrance and flavor applications as a potential odorant or building block in perfumery, and may be employed in cosmetics and personal care formulations as a solvent or carrier for active ingredients. In industrial manufacturing, it serves as a chemical feedstock for downstream transformations to higher-value intermediates or additives. In coatings, inks, and cleaners, it can act as a processing aid or solvent to improve formulation performance. It may also be used as a precursor for polymer and plastic derivatives and other branched aliphatic compounds, depending on regulatory and formulation constraints. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1302.0
    methanol 1413.39
    isopropanol 1119.89
    water 7.11
    ethyl acetate 617.21
    n-propanol 1072.88
    acetone 468.73
    n-butanol 1112.54
    acetonitrile 496.49
    DMF 410.24
    toluene 236.22
    isobutanol 789.2
    1,4-dioxane 1125.77
    methyl acetate 487.31
    THF 1510.99
    2-butanone 547.86
    n-pentanol 713.72
    sec-butanol 1077.03
    n-hexane 450.18
    ethylene glycol 187.81
    NMP 488.47
    cyclohexane 334.55
    DMSO 371.18
    n-butyl acetate 718.98
    n-octanol 564.57
    chloroform 1326.18
    n-propyl acetate 373.79
    acetic acid 531.05
    dichloromethane 894.67
    cyclohexanone 728.11
    propylene glycol 322.91
    isopropyl acetate 435.18
    DMAc 430.42
    2-ethoxyethanol 669.52
    isopentanol 926.78
    n-heptane 381.82
    ethyl formate 381.72
    1,2-dichloroethane 484.53
    n-hexanol 1207.7
    2-methoxyethanol 970.09
    isobutyl acetate 269.36
    tetrachloromethane 496.28
    n-pentyl acetate 464.89
    transcutol 1609.43
    n-heptanol 635.7
    ethylbenzene 185.54
    MIBK 358.75
    2-propoxyethanol 1096.81
    tert-butanol 1366.56
    MTBE 1110.66
    2-butoxyethanol 709.42
    propionic acid 521.97
    o-xylene 208.12
    formic acid 222.33
    diethyl ether 883.61
    m-xylene 196.67
    p-xylene 258.3
    chlorobenzene 323.96
    dimethyl carbonate 95.56
    n-octane 140.01
    formamide 255.74
    cyclopentanone 685.33
    2-pentanone 479.68
    anisole 343.44
    cyclopentyl methyl ether 676.27
    gamma-butyrolactone 681.56
    1-methoxy-2-propanol 735.88
    pyridine 501.41
    3-pentanone 370.79
    furfural 543.67
    n-dodecane 80.37
    diethylene glycol 603.33
    diisopropyl ether 388.95
    tert-amyl alcohol 1228.95
    acetylacetone 358.01
    n-hexadecane 85.68
    acetophenone 254.62
    methyl propionate 359.32
    isopentyl acetate 627.88
    trichloroethylene 751.2
    n-nonanol 497.5
    cyclohexanol 746.45
    benzyl alcohol 288.5
    2-ethylhexanol 778.66
    isooctanol 516.07
    dipropyl ether 724.25
    1,2-dichlorobenzene 307.72
    ethyl lactate 187.45
    propylene carbonate 443.89
    n-methylformamide 341.69
    2-pentanol 808.88
    n-pentane 353.41
    1-propoxy-2-propanol 858.04
    1-methoxy-2-propyl acetate 468.9
    2-(2-methoxypropoxy) propanol 488.56
    mesitylene 155.45
    ε-caprolactone 697.98
    p-cymene 207.2
    epichlorohydrin 721.12
    1,1,1-trichloroethane 731.05
    2-aminoethanol 513.57
    morpholine-4-carbaldehyde 649.79
    sulfolane 570.78
    2,2,4-trimethylpentane 184.7
    2-methyltetrahydrofuran 1168.29
    n-hexyl acetate 653.01
    isooctane 149.31
    2-(2-butoxyethoxy)ethanol 714.6
    sec-butyl acetate 324.45
    tert-butyl acetate 494.48
    decalin 162.59
    glycerin 342.53
    diglyme 977.03
    acrylic acid 323.82
    isopropyl myristate 252.59
    n-butyric acid 872.9
    acetyl acetate 292.29
    di(2-ethylhexyl) phthalate 199.56
    ethyl propionate 339.19
    nitromethane 455.42
    1,2-diethoxyethane 753.62
    benzonitrile 338.19
    trioctyl phosphate 179.71
    1-bromopropane 581.99
    gamma-valerolactone 814.42
    n-decanol 354.08
    triethyl phosphate 198.36
    4-methyl-2-pentanol 489.42
    propionitrile 584.93
    vinylene carbonate 350.01
    1,1,2-trichlorotrifluoroethane 502.74
    DMS 246.79
    cumene 178.38
    2-octanol 460.4
    2-hexanone 439.45
    octyl acetate 306.42
    limonene 336.71
    1,2-dimethoxyethane 900.61
    ethyl orthosilicate 236.72
    tributyl phosphate 203.07
    diacetone alcohol 498.3
    N,N-dimethylaniline 251.97
    acrylonitrile 441.01
    aniline 348.23
    1,3-propanediol 682.28
    bromobenzene 324.67
    dibromomethane 707.24
    1,1,2,2-tetrachloroethane 753.22
    2-methyl-cyclohexyl acetate 379.68
    tetrabutyl urea 211.3
    diisobutyl methanol 387.15
    2-phenylethanol 423.46
    styrene 199.62
    dioctyl adipate 270.56
    dimethyl sulfate 130.3
    ethyl butyrate 485.73
    methyl lactate 188.6
    butyl lactate 340.53
    diethyl carbonate 278.91
    propanediol butyl ether 522.3
    triethyl orthoformate 399.1
    p-tert-butyltoluene 219.03
    methyl 4-tert-butylbenzoate 325.74
    morpholine 1230.34
    tert-butylamine 1161.58
    n-dodecanol 266.18
    dimethoxymethane 373.72
    ethylene carbonate 342.99
    cyrene 284.22
    2-ethoxyethyl acetate 452.34
    2-ethylhexyl acetate 525.37
    1,2,4-trichlorobenzene 339.43
    4-methylpyridine 508.5
    dibutyl ether 583.05
    2,6-dimethyl-4-heptanol 387.15
    DEF 460.97
    dimethyl isosorbide 603.55
    tetrachloroethylene 603.64
    eugenol 303.03
    triacetin 342.98
    span 80 512.42
    1,4-butanediol 295.01
    1,1-dichloroethane 677.93
    2-methyl-1-pentanol 683.63
    methyl formate 204.73
    2-methyl-1-butanol 839.66
    n-decane 151.98
    butyronitrile 694.39
    3,7-dimethyl-1-octanol 525.04
    1-chlorooctane 346.69
    1-chlorotetradecane 141.55
    n-nonane 160.06
    undecane 105.84
    tert-butylcyclohexane 209.56
    cyclooctane 139.67
    cyclopentanol 727.65
    tetrahydropyran 1149.27
    tert-amyl methyl ether 758.58
    2,5,8-trioxanonane 645.21
    1-hexene 650.56
    2-isopropoxyethanol 530.78
    2,2,2-trifluoroethanol 195.09
    methyl butyrate 419.38

    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