3,3-Dimethylpentane

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  • Identifiers

    CAS number
    562-49-2

    Molecular formula
    C7H16

    SMILES
    CCC(C)(C)CC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fresh 40.66%
    Camphoreous 40.05%
    Ethereal 36.52%
    Gassy 34.21%
    Woody 28.97%
    Sweet 27.32%
    Pine 26.81%
    Herbal 25.9%
    Mint 25.25%
    Solvent 23.08%

     

    Flavor
    Alkane 38.93%
    Gasoline 28.44%
    Pungent 26.87%
    Ethereal 23.78%
    Woody 22.64%
    Camphor 22.64%
    Rotten 20.66%
    Fishy 20.01%
    Earthy 19.81%
    Blackberry 19.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    10.55 (weak base)

    Molecular weight
    100.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    84°C

    Flash point

    • -16.63 ˚C est.

  • Synonyms

    • 3,3-DIMETHYLPENTANE
    • 562-49-2
    • Pentane, 3,3-dimethyl-
    • Pentane,3,3-dimethyl-
    • MFCD00009322
    • 3.3-Dimethyl pentane
    • R1RH0VBD2L
    • DTXSID0049319
    • NSC-74150
    • UNII-R1RH0VBD2L
    • NSC74150
    • EINECS 209-230-8
    • NSC 74150
    • 3,3-dimethyl-pentane
    • SCHEMBL38441
    • SCHEMBL57087
    • SCHEMBL57088
    • SCHEMBL83071
    • 3,3-Dimethylpentane, 99%
    • SCHEMBL104576
    • SCHEMBL138268
    • SCHEMBL216390
    • SCHEMBL3932614
    • SCHEMBL6676858
    • SCHEMBL8669832
    • CHEMBL3188231
    • DTXCID9029275
    • SCHEMBL23069458
    • SCHEMBL23777373
    • (C2H5)2C(CH3)2
    • Tox21_202848
    • AKOS015841871
    • NCGC00260394-01
    • CAS-562-49-2
    • DB-052879
    • NS00021217
    • Q2815978
    • InChI=1/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H
    • 562-49-2

  • Applications

    3,3-Dimethylpentane (CAS 562-49-2) is a branched aliphatic hydrocarbon primarily used as a nonpolar solvent and diluent in industrial formulations. It serves as a cleaning and degreasing solvent, a diluent for coatings, inks, and adhesives, and as a component in gasoline blends. It is also used as a reference or calibration solvent in chromatographic methods and can be fed into petrochemical processing as a low-boiling hydrocarbon feedstock. In laboratory settings it may be used as a nonpolar solvent for sample preparation, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.98
    methanol 89.04
    isopropanol 127.93
    water 0.11
    ethyl acetate 297.67
    n-propanol 158.17
    acetone 117.28
    n-butanol 220.52
    acetonitrile 101.77
    DMF 101.21
    toluene 223.22
    isobutanol 123.56
    1,4-dioxane 414.83
    methyl acetate 183.37
    THF 711.33
    2-butanone 234.91
    n-pentanol 153.52
    sec-butanol 198.31
    n-hexane 464.32
    ethylene glycol 12.14
    NMP 233.36
    cyclohexane 441.75
    DMSO 89.41
    n-butyl acetate 736.35
    n-octanol 237.75
    chloroform 587.28
    n-propyl acetate 206.38
    acetic acid 73.41
    dichloromethane 391.17
    cyclohexanone 348.77
    propylene glycol 31.46
    isopropyl acetate 261.01
    DMAc 166.02
    2-ethoxyethanol 126.48
    isopentanol 209.59
    n-heptane 804.59
    ethyl formate 99.54
    1,2-dichloroethane 256.94
    n-hexanol 526.49
    2-methoxyethanol 148.31
    isobutyl acetate 184.85
    tetrachloromethane 211.51
    n-pentyl acetate 307.6
    transcutol 633.37
    n-heptanol 253.13
    ethylbenzene 156.41
    MIBK 194.86
    2-propoxyethanol 395.15
    tert-butanol 222.05
    MTBE 440.92
    2-butoxyethanol 241.78
    propionic acid 94.13
    o-xylene 181.71
    formic acid 13.89
    diethyl ether 493.74
    m-xylene 174.35
    p-xylene 194.91
    chlorobenzene 204.88
    dimethyl carbonate 48.87
    n-octane 220.72
    formamide 18.81
    cyclopentanone 331.47
    2-pentanone 238.52
    anisole 202.17
    cyclopentyl methyl ether 468.45
    gamma-butyrolactone 276.94
    1-methoxy-2-propanol 168.15
    pyridine 271.67
    3-pentanone 241.65
    furfural 205.87
    n-dodecane 112.78
    diethylene glycol 115.37
    diisopropyl ether 288.02
    tert-amyl alcohol 304.66
    acetylacetone 177.26
    n-hexadecane 124.34
    acetophenone 155.41
    methyl propionate 177.68
    isopentyl acetate 597.94
    trichloroethylene 376.28
    n-nonanol 246.72
    cyclohexanol 255.15
    benzyl alcohol 97.42
    2-ethylhexanol 586.01
    isooctanol 216.95
    dipropyl ether 931.64
    1,2-dichlorobenzene 203.96
    ethyl lactate 78.11
    propylene carbonate 214.25
    n-methylformamide 48.68
    2-pentanol 213.15
    n-pentane 322.4
    1-propoxy-2-propanol 490.11
    1-methoxy-2-propyl acetate 394.33
    2-(2-methoxypropoxy) propanol 268.61
    mesitylene 146.18
    ε-caprolactone 367.3
    p-cymene 266.92
    epichlorohydrin 313.67
    1,1,1-trichloroethane 409.1
    2-aminoethanol 39.56
    morpholine-4-carbaldehyde 217.33
    sulfolane 259.05
    2,2,4-trimethylpentane 168.07
    2-methyltetrahydrofuran 659.14
    n-hexyl acetate 417.34
    isooctane 136.56
    2-(2-butoxyethoxy)ethanol 337.18
    sec-butyl acetate 224.74
    tert-butyl acetate 317.29
    decalin 213.38
    glycerin 34.58
    diglyme 481.09
    acrylic acid 57.76
    isopropyl myristate 238.97
    n-butyric acid 212.27
    acetyl acetate 169.21
    di(2-ethylhexyl) phthalate 137.48
    ethyl propionate 228.04
    nitromethane 83.2
    1,2-diethoxyethane 573.22
    benzonitrile 141.51
    trioctyl phosphate 125.21
    1-bromopropane 416.91
    gamma-valerolactone 306.06
    n-decanol 195.51
    triethyl phosphate 234.44
    4-methyl-2-pentanol 165.91
    propionitrile 164.12
    vinylene carbonate 136.6
    1,1,2-trichlorotrifluoroethane 165.11
    DMS 160.88
    cumene 139.37
    2-octanol 191.25
    2-hexanone 241.87
    octyl acetate 264.31
    limonene 489.68
    1,2-dimethoxyethane 305.13
    ethyl orthosilicate 278.19
    tributyl phosphate 170.74
    diacetone alcohol 210.73
    N,N-dimethylaniline 160.09
    acrylonitrile 111.37
    aniline 160.83
    1,3-propanediol 71.82
    bromobenzene 251.04
    dibromomethane 377.96
    1,1,2,2-tetrachloroethane 385.79
    2-methyl-cyclohexyl acetate 396.61
    tetrabutyl urea 184.44
    diisobutyl methanol 353.99
    2-phenylethanol 225.28
    styrene 163.08
    dioctyl adipate 227.42
    dimethyl sulfate 59.49
    ethyl butyrate 541.56
    methyl lactate 60.71
    butyl lactate 178.73
    diethyl carbonate 303.03
    propanediol butyl ether 144.99
    triethyl orthoformate 468.91
    p-tert-butyltoluene 278.26
    methyl 4-tert-butylbenzoate 227.56
    morpholine 420.61
    tert-butylamine 252.75
    n-dodecanol 164.82
    dimethoxymethane 134.42
    ethylene carbonate 139.0
    cyrene 130.98
    2-ethoxyethyl acetate 275.57
    2-ethylhexyl acetate 617.24
    1,2,4-trichlorobenzene 230.09
    4-methylpyridine 254.25
    dibutyl ether 604.54
    2,6-dimethyl-4-heptanol 353.99
    DEF 245.81
    dimethyl isosorbide 445.53
    tetrachloroethylene 262.24
    eugenol 170.51
    triacetin 233.26
    span 80 288.2
    1,4-butanediol 27.74
    1,1-dichloroethane 302.04
    2-methyl-1-pentanol 181.69
    methyl formate 34.28
    2-methyl-1-butanol 205.08
    n-decane 198.99
    butyronitrile 227.48
    3,7-dimethyl-1-octanol 298.81
    1-chlorooctane 319.08
    1-chlorotetradecane 149.08
    n-nonane 219.98
    undecane 142.85
    tert-butylcyclohexane 218.68
    cyclooctane 250.91
    cyclopentanol 200.3
    tetrahydropyran 633.14
    tert-amyl methyl ether 450.6
    2,5,8-trioxanonane 366.04
    1-hexene 511.11
    2-isopropoxyethanol 132.78
    2,2,2-trifluoroethanol 24.98
    methyl butyrate 244.98

    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