2,4-Dimethyl-3-pentanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    600-36-2

    Molecular formula
    C7H16O

    SMILES
    CC(C)C(C(C)C)O

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1157.0

  • Odor profile

    Sweet 65.0%
    Fermented 47.17%
    Alcoholic 46.29%
    Ethereal 43.07%
    Solvent 37.73%
    Oily 33.89%
    Fruity 33.44%
    Camphoreous 30.63%
    Musty 30.44%
    Floral 29.92%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    140°C

    Flash point est.
    40.69 ˚C

  • Synonyms

    • 2,4-DIMETHYL-3-PENTANOL
    • 600-36-2
    • 2,4-Dimethylpentan-3-ol
    • Diisopropylcarbinol
    • Diisopropylmethanol
    • 3-Pentanol, 2,4-dimethyl-
    • 2,4-Dimethyl-3-hydroxypentane
    • NSC 8696
    • EINECS 209-993-7
    • UNII-N54K81P01F
    • N54K81P01F
    • NSC-8696
    • DIISOPROPYLMETHYL ALCOHOL
    • DTXSID9022075
    • 2,4-DIMETHYL-3-PENTYL ALCOHOL
    • Di-iso-propylcarbinol
    • NSC8696
    • 2,4Dimethylpentan3ol
    • 3Pentanol, 2,4dimethyl
    • 2,4Dimethyl3hydroxypentane
    • 2.4-Dimethyl-3-pentanol
    • 2,4-dimethyl-pentan-3-ol
    • SCHEMBL21031
    • DTXCID302075
    • QSPL 066
    • CHEMBL2260956
    • US9688669, Example 28
    • BDBM174161
    • 2,4-Dimethyl-3-pentanol, 99%
    • MFCD00008921
    • AKOS009158651
    • LS-13377
    • CS-0224337
    • D2387
    • NS00034288
    • EN300-118967
    • F71272
    • A832583
    • Q27284566

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 697.71
    methanol 931.7
    isopropanol 549.16
    water 3.45
    ethyl acetate 338.21
    n-propanol 606.29
    acetone 327.4
    n-butanol 683.34
    acetonitrile 319.0
    DMF 209.27
    toluene 139.09
    isobutanol 480.56
    1,4-dioxane 620.61
    methyl acetate 286.19
    THF 1055.78
    2-butanone 356.56
    n-pentanol 434.49
    sec-butanol 571.38
    n-hexane 364.72
    ethylene glycol 117.84
    NMP 409.29
    cyclohexane 277.44
    DMSO 256.07
    n-butyl acetate 732.17
    n-octanol 415.21
    chloroform 1114.88
    n-propyl acetate 336.96
    acetic acid 512.7
    dichloromethane 753.73
    cyclohexanone 580.75
    propylene glycol 172.52
    isopropyl acetate 257.03
    DMAc 225.08
    2-ethoxyethanol 381.08
    isopentanol 587.61
    n-heptane 383.98
    ethyl formate 290.36
    1,2-dichloroethane 404.49
    n-hexanol 843.52
    2-methoxyethanol 523.8
    isobutyl acetate 247.16
    tetrachloromethane 418.26
    n-pentyl acetate 450.12
    transcutol 965.17
    n-heptanol 469.62
    ethylbenzene 125.55
    MIBK 241.51
    2-propoxyethanol 704.03
    tert-butanol 689.8
    MTBE 610.6
    2-butoxyethanol 539.35
    propionic acid 385.56
    o-xylene 130.36
    formic acid 172.72
    diethyl ether 544.8
    m-xylene 120.94
    p-xylene 190.73
    chlorobenzene 239.91
    dimethyl carbonate 58.33
    n-octane 128.46
    formamide 150.85
    cyclopentanone 589.44
    2-pentanone 334.83
    anisole 189.17
    cyclopentyl methyl ether 508.93
    gamma-butyrolactone 646.4
    1-methoxy-2-propanol 385.29
    pyridine 344.53
    3-pentanone 237.96
    furfural 477.33
    n-dodecane 64.08
    diethylene glycol 360.31
    diisopropyl ether 249.7
    tert-amyl alcohol 669.64
    acetylacetone 217.88
    n-hexadecane 68.91
    acetophenone 181.13
    methyl propionate 201.83
    isopentyl acetate 642.38
    trichloroethylene 661.52
    n-nonanol 337.12
    cyclohexanol 537.84
    benzyl alcohol 175.84
    2-ethylhexanol 660.73
    isooctanol 386.3
    dipropyl ether 641.92
    1,2-dichlorobenzene 246.82
    ethyl lactate 140.64
    propylene carbonate 437.89
    n-methylformamide 200.98
    2-pentanol 504.98
    n-pentane 270.62
    1-propoxy-2-propanol 684.19
    1-methoxy-2-propyl acetate 344.71
    2-(2-methoxypropoxy) propanol 287.79
    mesitylene 99.51
    ε-caprolactone 556.2
    p-cymene 203.73
    epichlorohydrin 561.63
    1,1,1-trichloroethane 535.11
    2-aminoethanol 265.47
    morpholine-4-carbaldehyde 376.5
    sulfolane 627.07
    2,2,4-trimethylpentane 146.41
    2-methyltetrahydrofuran 871.02
    n-hexyl acetate 530.74
    isooctane 111.16
    2-(2-butoxyethoxy)ethanol 454.9
    sec-butyl acetate 253.6
    tert-butyl acetate 322.67
    decalin 133.22
    glycerin 183.61
    diglyme 657.43
    acrylic acid 277.13
    isopropyl myristate 213.74
    n-butyric acid 625.06
    acetyl acetate 183.43
    di(2-ethylhexyl) phthalate 163.62
    ethyl propionate 248.49
    nitromethane 372.66
    1,2-diethoxyethane 506.03
    benzonitrile 257.31
    trioctyl phosphate 159.25
    1-bromopropane 446.62
    gamma-valerolactone 616.32
    n-decanol 233.83
    triethyl phosphate 188.85
    4-methyl-2-pentanol 299.53
    propionitrile 346.72
    vinylene carbonate 328.35
    1,1,2-trichlorotrifluoroethane 438.03
    DMS 183.15
    cumene 125.59
    2-octanol 333.42
    2-hexanone 366.33
    octyl acetate 253.01
    limonene 339.12
    1,2-dimethoxyethane 550.66
    ethyl orthosilicate 225.77
    tributyl phosphate 189.1
    diacetone alcohol 313.46
    N,N-dimethylaniline 150.27
    acrylonitrile 278.21
    aniline 190.16
    1,3-propanediol 405.92
    bromobenzene 238.75
    dibromomethane 646.33
    1,1,2,2-tetrachloroethane 632.3
    2-methyl-cyclohexyl acetate 378.8
    tetrabutyl urea 196.3
    diisobutyl methanol 361.29
    2-phenylethanol 269.06
    styrene 129.59
    dioctyl adipate 235.71
    dimethyl sulfate 88.99
    ethyl butyrate 474.78
    methyl lactate 109.64
    butyl lactate 313.45
    diethyl carbonate 265.49
    propanediol butyl ether 362.92
    triethyl orthoformate 371.23
    p-tert-butyltoluene 201.15
    methyl 4-tert-butylbenzoate 254.05
    morpholine 656.28
    tert-butylamine 611.93
    n-dodecanol 171.15
    dimethoxymethane 194.24
    ethylene carbonate 318.74
    cyrene 219.42
    2-ethoxyethyl acetate 355.3
    2-ethylhexyl acetate 538.89
    1,2,4-trichlorobenzene 269.91
    4-methylpyridine 332.52
    dibutyl ether 487.34
    2,6-dimethyl-4-heptanol 361.29
    DEF 285.98
    dimethyl isosorbide 476.48
    tetrachloroethylene 545.76
    eugenol 237.1
    triacetin 260.07
    span 80 333.17
    1,4-butanediol 181.72
    1,1-dichloroethane 463.62
    2-methyl-1-pentanol 405.99
    methyl formate 165.7
    2-methyl-1-butanol 563.6
    n-decane 123.19
    butyronitrile 493.26
    3,7-dimethyl-1-octanol 389.37
    1-chlorooctane 293.01
    1-chlorotetradecane 108.82
    n-nonane 140.39
    undecane 84.37
    tert-butylcyclohexane 162.91
    cyclooctane 117.78
    cyclopentanol 546.67
    tetrahydropyran 755.26
    tert-amyl methyl ether 473.04
    2,5,8-trioxanonane 393.04
    1-hexene 511.6
    2-isopropoxyethanol 300.74
    2,2,2-trifluoroethanol 170.11
    methyl butyrate 354.25

    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
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 3.07%