2,2-Dimethyl-3-pentanol

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  • Identifiers

    CAS number
    3970-62-5

    Molecular formula
    C7H16O

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Camphoreous 56.84%
    Fermented 47.38%
    Woody 42.52%
    Mint 41.21%
    Herbal 37.64%
    Ethereal 37.33%
    Earthy 36.9%
    Musty 33.93%
    Solvent 31.73%
    Alcoholic 31.26%

     

    Flavor
    Green 43.39%
    Fruity 36.31%
    Pungent 32.22%
    Oily 30.32%
    Floral 25.97%
    Sweet 25.03%
    Bitter 24.9%
    Earthy 24.39%
    Herbal 24.21%
    Tropical 23.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.79 (weak base)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    138°C

    Flash point

    • 39.99 ˚C est.

  • Synonyms

    • 2,2-DIMETHYL-3-PENTANOL
    • 2,2-Dimethylpentan-3-ol
    • 3-Pentanol, 2,2-dimethyl-
    • UNII-LR5O1LPM79
    • LR5O1LPM79
    • DTXSID0032813
    • EINECS 223-592-4
    • NSC 42943
    • NSC-42943
    • J130.727D
    • DTXCID8012813
    • HMSVXZJWPVIVIV-UHFFFAOYSA-
    • RefChem:81060
    • 3-Pentanol, 2,2-dimethyl-(8CI)
    • (+-)-2,2-DIMETHYL-3-PENTANOL
    • 3-Pentanol, 2,2-dimethyl-(8CI)(9CI)
    • HMSVXZJWPVIVIV-UHFFFAOYSA-N
    • InChI=1/C7H16O/c1-5-6(8)7(2,3)4/h6,8H,5H2,1-4H3
    • 3970-62-5
    • MFCD00004566
    • NSC42943
    • 3-Pentanol,2-dimethyl-
    • MLS001055313
    • SCHEMBL195589
    • SCHEMBL277039
    • SCHEMBL6618293
    • CHEMBL1511411
    • SCHEMBL28310751
    • HMS3039N13
    • 2,2-Dimethyl-3-pentanol, 97%
    • Tox21_201174
    • SBB008540
    • AKOS009156941
    • NCGC00090937-01
    • NCGC00090937-02
    • NCGC00258726-01
    • AS-81267
    • SMR000673561
    • CAS-3970-62-5
    • (+/-)-2,2-DIMETHYL-3-PENTANOL
    • DB-027028
    • CS-0132258
    • NS00030651
    • E81575
    • EN300-223424
    • Q27283145
    • 3970-62-5

  • Applications

    2,2-Dimethyl-3-pentanol (CAS 3970-62-5) is primarily used as an intermediate in organic synthesis. It is also employed as a solvent or processing aid in industrial manufacturing, including formulations for coatings, inks, and adhesives. The compound may serve as a building block in fragrance chemistry and in cosmetic/personal-care formulations, and it can be used in household products where a branched secondary alcohol solvent is appropriate, subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 542.62
    methanol 626.76
    isopropanol 442.75
    water 4.07
    ethyl acetate 315.39
    n-propanol 487.4
    acetone 217.55
    n-butanol 556.39
    acetonitrile 219.55
    DMF 189.67
    toluene 128.36
    isobutanol 387.68
    1,4-dioxane 486.01
    methyl acetate 248.01
    THF 733.99
    2-butanone 275.94
    n-pentanol 337.07
    sec-butanol 479.07
    n-hexane 247.27
    ethylene glycol 110.61
    NMP 286.26
    cyclohexane 191.39
    DMSO 172.95
    n-butyl acetate 561.53
    n-octanol 398.81
    chloroform 778.28
    n-propyl acetate 241.92
    acetic acid 375.54
    dichloromethane 461.44
    cyclohexanone 399.25
    propylene glycol 176.69
    isopropyl acetate 243.05
    DMAc 220.41
    2-ethoxyethanol 349.38
    isopentanol 498.51
    n-heptane 305.65
    ethyl formate 209.42
    1,2-dichloroethane 253.15
    n-hexanol 747.68
    2-methoxyethanol 485.9
    isobutyl acetate 190.41
    tetrachloromethane 315.07
    n-pentyl acetate 313.21
    transcutol 941.51
    n-heptanol 449.09
    ethylbenzene 115.09
    MIBK 226.18
    2-propoxyethanol 683.45
    tert-butanol 635.14
    MTBE 538.19
    2-butoxyethanol 496.89
    propionic acid 314.46
    o-xylene 126.6
    formic acid 152.53
    diethyl ether 436.91
    m-xylene 124.98
    p-xylene 168.06
    chlorobenzene 178.76
    dimethyl carbonate 64.55
    n-octane 101.0
    formamide 130.65
    cyclopentanone 393.91
    2-pentanone 265.67
    anisole 184.64
    cyclopentyl methyl ether 404.95
    gamma-butyrolactone 417.71
    1-methoxy-2-propanol 397.09
    pyridine 243.7
    3-pentanone 203.06
    furfural 324.62
    n-dodecane 61.29
    diethylene glycol 373.75
    diisopropyl ether 244.3
    tert-amyl alcohol 637.31
    acetylacetone 193.82
    n-hexadecane 64.67
    acetophenone 159.29
    methyl propionate 192.33
    isopentyl acetate 507.44
    trichloroethylene 448.35
    n-nonanol 336.44
    cyclohexanol 414.42
    benzyl alcohol 156.67
    2-ethylhexanol 593.98
    isooctanol 357.74
    dipropyl ether 511.74
    1,2-dichlorobenzene 200.65
    ethyl lactate 140.04
    propylene carbonate 315.53
    n-methylformamide 163.5
    2-pentanol 425.26
    n-pentane 200.79
    1-propoxy-2-propanol 647.75
    1-methoxy-2-propyl acetate 354.26
    2-(2-methoxypropoxy) propanol 329.57
    mesitylene 110.06
    ε-caprolactone 415.91
    p-cymene 181.76
    epichlorohydrin 380.23
    1,1,1-trichloroethane 421.06
    2-aminoethanol 264.47
    morpholine-4-carbaldehyde 338.42
    sulfolane 370.92
    2,2,4-trimethylpentane 138.24
    2-methyltetrahydrofuran 609.36
    n-hexyl acetate 433.09
    isooctane 118.98
    2-(2-butoxyethoxy)ethanol 472.3
    sec-butyl acetate 209.82
    tert-butyl acetate 334.5
    decalin 118.11
    glycerin 206.81
    diglyme 622.89
    acrylic acid 211.86
    isopropyl myristate 189.75
    n-butyric acid 498.53
    acetyl acetate 180.6
    di(2-ethylhexyl) phthalate 155.26
    ethyl propionate 200.33
    nitromethane 253.69
    1,2-diethoxyethane 419.78
    benzonitrile 198.13
    trioctyl phosphate 143.9
    1-bromopropane 324.98
    gamma-valerolactone 450.41
    n-decanol 243.56
    triethyl phosphate 163.4
    4-methyl-2-pentanol 311.0
    propionitrile 275.65
    vinylene carbonate 240.55
    1,1,2-trichlorotrifluoroethane 343.72
    DMS 165.39
    cumene 119.74
    2-octanol 310.17
    2-hexanone 254.54
    octyl acetate 227.43
    limonene 286.31
    1,2-dimethoxyethane 432.15
    ethyl orthosilicate 193.22
    tributyl phosphate 166.27
    diacetone alcohol 333.51
    N,N-dimethylaniline 151.4
    acrylonitrile 218.3
    aniline 172.44
    1,3-propanediol 358.09
    bromobenzene 185.82
    dibromomethane 404.88
    1,1,2,2-tetrachloroethane 462.32
    2-methyl-cyclohexyl acetate 318.26
    tetrabutyl urea 166.48
    diisobutyl methanol 331.37
    2-phenylethanol 257.07
    styrene 113.68
    dioctyl adipate 207.67
    dimethyl sulfate 89.69
    ethyl butyrate 364.33
    methyl lactate 122.86
    butyl lactate 273.56
    diethyl carbonate 224.29
    propanediol butyl ether 374.99
    triethyl orthoformate 311.79
    p-tert-butyltoluene 194.59
    methyl 4-tert-butylbenzoate 256.92
    morpholine 537.87
    tert-butylamine 553.38
    n-dodecanol 185.89
    dimethoxymethane 195.02
    ethylene carbonate 228.39
    cyrene 210.06
    2-ethoxyethyl acetate 287.51
    2-ethylhexyl acetate 425.1
    1,2,4-trichlorobenzene 221.2
    4-methylpyridine 251.59
    dibutyl ether 380.26
    2,6-dimethyl-4-heptanol 331.37
    DEF 242.37
    dimethyl isosorbide 459.42
    tetrachloroethylene 368.58
    eugenol 229.89
    triacetin 239.28
    span 80 362.66
    1,4-butanediol 158.01
    1,1-dichloroethane 361.84
    2-methyl-1-pentanol 346.07
    methyl formate 123.19
    2-methyl-1-butanol 462.76
    n-decane 107.66
    butyronitrile 372.21
    3,7-dimethyl-1-octanol 387.43
    1-chlorooctane 236.29
    1-chlorotetradecane 101.75
    n-nonane 115.37
    undecane 77.72
    tert-butylcyclohexane 155.28
    cyclooctane 94.79
    cyclopentanol 377.42
    tetrahydropyran 549.54
    tert-amyl methyl ether 454.22
    2,5,8-trioxanonane 411.2
    1-hexene 352.78
    2-isopropoxyethanol 299.96
    2,2,2-trifluoroethanol 136.31
    methyl butyrate 255.84

    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