2,3-Dimethylpentane

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  • Identifiers

    CAS number
    565-59-3

    Molecular formula
    C7H16

    SMILES
    CCC(C)C(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fresh 43.25%
    Ethereal 38.32%
    Gassy 36.05%
    Camphoreous 34.8%
    Herbal 32.31%
    Woody 31.62%
    Pine 27.24%
    Mint 26.91%
    Sweet 25.2%
    Green 24.39%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.3 (weak base)

    Molecular weight
    100.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    86°C

    Flash point est.
    -10.11 ˚C

  • Synonyms

    • 2,3-DIMETHYLPENTANE
    • 565-59-3
    • Pentane, 2,3-dimethyl-
    • 3,4-Dimethylpentane
    • EINECS 209-280-0
    • NSC 23696
    • BRN 1718734
    • 2,3-dimethyl-pentane
    • 8HPD5L8920
    • MFCD00009337
    • NSC-23696
    • UNII-8HPD5L8920
    • DTXSID20862203
    • 3-01-00-00445 (Beilstein Handbook Reference)
    • (+/-)-2,3-DIMETHYLPENTANE
    • CHEBI:151115
    • 3,4Dimethylpentane
    • NSC23696
    • Pentane, 2,3dimethyl
    • Ethylisopropylmethylmethane
    • 2,3-Dimethylpentane, >=99%
    • DTXCID90811001
    • AKOS015841811
    • 2,3-Dimethylpentane, analytical standard
    • LS-13369
    • DB-057818
    • D0768
    • NS00042825
    • D89715
    • Q2813780
    • 209-280-0
    • Pentane, 2,3-dimethyl-; 2,3-Dimethylpentane; (+/-)-2,3-Dimethylpentane; 3,4-Dimethylpentane; NSC 23696

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 366.87
    methanol 208.24
    isopropanol 323.47
    water 0.06
    ethyl acetate 635.65
    n-propanol 412.5
    acetone 301.82
    n-butanol 574.35
    acetonitrile 264.39
    DMF 141.75
    toluene 418.77
    isobutanol 312.15
    1,4-dioxane 929.09
    methyl acetate 360.64
    THF 1662.3
    2-butanone 513.03
    n-pentanol 379.68
    sec-butanol 474.76
    n-hexane 1031.02
    ethylene glycol 17.54
    NMP 325.1
    cyclohexane 992.44
    DMSO 182.34
    n-butyl acetate 2015.56
    n-octanol 386.53
    chloroform 1164.25
    n-propyl acetate 482.38
    acetic acid 157.17
    dichloromethane 922.95
    cyclohexanone 818.59
    propylene glycol 45.21
    isopropyl acetate 478.57
    DMAc 187.89
    2-ethoxyethanol 254.65
    isopentanol 502.87
    n-heptane 1657.37
    ethyl formate 243.52
    1,2-dichloroethane 609.97
    n-hexanol 1333.75
    2-methoxyethanol 304.16
    isobutyl acetate 352.25
    tetrachloromethane 444.25
    n-pentyl acetate 603.65
    transcutol 1225.54
    n-heptanol 461.68
    ethylbenzene 249.16
    MIBK 366.31
    2-propoxyethanol 874.3
    tert-butanol 523.8
    MTBE 1021.89
    2-butoxyethanol 436.82
    propionic acid 189.9
    o-xylene 256.73
    formic acid 22.41
    diethyl ether 1305.04
    m-xylene 267.7
    p-xylene 285.15
    chlorobenzene 423.55
    dimethyl carbonate 54.29
    n-octane 362.25
    formamide 29.74
    cyclopentanone 700.13
    2-pentanone 539.27
    anisole 300.49
    cyclopentyl methyl ether 928.64
    gamma-butyrolactone 527.06
    1-methoxy-2-propanol 295.84
    pyridine 604.68
    3-pentanone 442.87
    furfural 381.13
    n-dodecane 155.06
    diethylene glycol 218.58
    diisopropyl ether 535.71
    tert-amyl alcohol 633.23
    acetylacetone 330.76
    n-hexadecane 174.24
    acetophenone 216.27
    methyl propionate 296.43
    isopentyl acetate 1410.08
    trichloroethylene 764.46
    n-nonanol 375.64
    cyclohexanol 591.89
    benzyl alcohol 157.53
    2-ethylhexanol 1367.72
    isooctanol 398.33
    dipropyl ether 2174.55
    1,2-dichlorobenzene 369.89
    ethyl lactate 113.78
    propylene carbonate 388.73
    n-methylformamide 81.54
    2-pentanol 489.77
    n-pentane 717.57
    1-propoxy-2-propanol 1068.11
    1-methoxy-2-propyl acetate 730.19
    2-(2-methoxypropoxy) propanol 355.72
    mesitylene 208.12
    ε-caprolactone 772.42
    p-cymene 438.7
    epichlorohydrin 662.68
    1,1,1-trichloroethane 788.57
    2-aminoethanol 69.31
    morpholine-4-carbaldehyde 365.35
    sulfolane 470.47
    2,2,4-trimethylpentane 271.0
    2-methyltetrahydrofuran 1561.8
    n-hexyl acetate 708.38
    isooctane 240.43
    2-(2-butoxyethoxy)ethanol 516.07
    sec-butyl acetate 395.86
    tert-butyl acetate 534.5
    decalin 343.17
    glycerin 49.64
    diglyme 801.51
    acrylic acid 93.13
    isopropyl myristate 355.03
    n-butyric acid 526.68
    acetyl acetate 275.42
    di(2-ethylhexyl) phthalate 182.05
    ethyl propionate 401.36
    nitromethane 170.07
    1,2-diethoxyethane 1274.74
    benzonitrile 302.12
    trioctyl phosphate 182.55
    1-bromopropane 1028.81
    gamma-valerolactone 636.65
    n-decanol 297.56
    triethyl phosphate 336.49
    4-methyl-2-pentanol 323.42
    propionitrile 390.72
    vinylene carbonate 243.66
    1,1,2-trichlorotrifluoroethane 268.26
    DMS 228.31
    cumene 194.24
    2-octanol 336.85
    2-hexanone 551.41
    octyl acetate 378.04
    limonene 914.31
    1,2-dimethoxyethane 687.79
    ethyl orthosilicate 406.31
    tributyl phosphate 256.03
    diacetone alcohol 351.61
    N,N-dimethylaniline 189.57
    acrylonitrile 237.44
    aniline 291.94
    1,3-propanediol 154.3
    bromobenzene 491.6
    dibromomethane 895.2
    1,1,2,2-tetrachloroethane 731.3
    2-methyl-cyclohexyl acetate 674.62
    tetrabutyl urea 261.43
    diisobutyl methanol 678.28
    2-phenylethanol 407.18
    styrene 275.56
    dioctyl adipate 320.32
    dimethyl sulfate 65.14
    ethyl butyrate 1181.65
    methyl lactate 74.92
    butyl lactate 301.29
    diethyl carbonate 542.97
    propanediol butyl ether 225.53
    triethyl orthoformate 897.25
    p-tert-butyltoluene 435.55
    methyl 4-tert-butylbenzoate 255.26
    morpholine 975.45
    tert-butylamine 587.33
    n-dodecanol 248.59
    dimethoxymethane 218.82
    ethylene carbonate 272.16
    cyrene 168.39
    2-ethoxyethyl acetate 499.24
    2-ethylhexyl acetate 1423.7
    1,2,4-trichlorobenzene 377.85
    4-methylpyridine 574.49
    dibutyl ether 1269.2
    2,6-dimethyl-4-heptanol 678.28
    DEF 446.68
    dimethyl isosorbide 603.05
    tetrachloroethylene 509.07
    eugenol 217.06
    triacetin 294.66
    span 80 401.76
    1,4-butanediol 51.55
    1,1-dichloroethane 679.84
    2-methyl-1-pentanol 426.28
    methyl formate 59.13
    2-methyl-1-butanol 493.12
    n-decane 302.28
    butyronitrile 601.72
    3,7-dimethyl-1-octanol 537.35
    1-chlorooctane 522.11
    1-chlorotetradecane 218.15
    n-nonane 350.96
    undecane 203.92
    tert-butylcyclohexane 335.05
    cyclooctane 454.21
    cyclopentanol 447.46
    tetrahydropyran 1703.61
    tert-amyl methyl ether 792.35
    2,5,8-trioxanonane 524.76
    1-hexene 1284.65
    2-isopropoxyethanol 238.22
    2,2,2-trifluoroethanol 32.81
    methyl butyrate 493.07

    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
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.02%