3,3-Dimethyl-1-butanol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    624-95-3

    Molecular formula
    C6H14O

    SMILES
    CC(C)(C)CCO

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fermented 67.46%
    Camphoreous 58.24%
    Alcoholic 55.71%
    Ethereal 53.9%
    Solvent 48.55%
    Mint 47.64%
    Woody 42.96%
    Oily 42.3%
    Musty 41.03%
    Fruity 39.6%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    102.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    144°C

    Flash point est.
    43.47 ˚C

  • Synonyms

    • 3,3-DIMETHYL-1-BUTANOL
    • 3,3-Dimethylbutan-1-ol
    • 624-95-3
    • 3,3-Dimethylbutanol
    • 1-Butanol, 3,3-dimethyl-
    • Neohexanol
    • EINECS 210-872-6
    • 3,3-Dimethyl-butan-1-ol
    • MFCD00002928
    • NSC 54158
    • DIMBUNOL
    • 543OYD666T
    • NSC-54158
    • CHEMBL25029
    • DTXSID3060796
    • 26401-20-7
    • tert-Hexanol
    • tert-HEXYL ALCOHOL
    • UNII-543OYD666T
    • C6H14O
    • DMB; Neohexanol
    • 3,3-Dimethyl-1-butanol, 98%
    • NSC54158
    • 3,3Dimethylbutan1ol
    • 3,3dimethyl-1-butanol
    • 1-Butanol,3-dimethyl-
    • 1Butanol, 3,3dimethyl
    • 3,3-dimethyl butan-1-ol
    • SCHEMBL13695
    • 3 pound not3-Dimethylbutanol
    • DTXCID0043347
    • 3,3-Dimethyl-1-butanol (liquid)
    • BCP21756
    • BBL103889
    • BDBM50026474
    • STL557699
    • AKOS005254404
    • CS-W013693
    • HY-W012977
    • AS-18452
    • DB-027025
    • D1333
    • NS00035049
    • EN300-95055
    • Q25109997
    • 210-872-6
    • 3,3-Dimethyl-1-butanol; 3,3-Dimethylbutanol; Dimbunol; NSC 54158; 1-Butanol, 3,3-dimethyl-
    • 33D

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.54
    methanol 228.64
    isopropanol 109.82
    water 13.47
    ethyl acetate 50.46
    n-propanol 142.02
    acetone 38.37
    n-butanol 124.65
    acetonitrile 38.97
    DMF 39.13
    toluene 11.68
    isobutanol 89.95
    1,4-dioxane 109.29
    methyl acetate 52.53
    THF 149.23
    2-butanone 47.04
    n-pentanol 52.71
    sec-butanol 111.45
    n-hexane 25.59
    ethylene glycol 91.78
    NMP 112.13
    cyclohexane 29.23
    DMSO 44.03
    n-butyl acetate 84.61
    n-octanol 91.42
    chloroform 109.22
    n-propyl acetate 35.09
    acetic acid 246.85
    dichloromethane 53.77
    cyclohexanone 82.42
    propylene glycol 127.58
    isopropyl acetate 32.69
    DMAc 53.89
    2-ethoxyethanol 73.27
    isopentanol 73.97
    n-heptane 51.93
    ethyl formate 38.05
    1,2-dichloroethane 30.23
    n-hexanol 172.8
    2-methoxyethanol 156.0
    isobutyl acetate 27.33
    tetrachloromethane 41.01
    n-pentyl acetate 50.56
    transcutol 234.25
    n-heptanol 104.83
    ethylbenzene 10.82
    MIBK 26.88
    2-propoxyethanol 195.91
    tert-butanol 119.63
    MTBE 55.61
    2-butoxyethanol 128.01
    propionic acid 160.0
    o-xylene 14.76
    formic acid 125.3
    diethyl ether 46.92
    m-xylene 13.93
    p-xylene 16.03
    chlorobenzene 23.14
    dimethyl carbonate 16.99
    n-octane 14.99
    formamide 61.62
    cyclopentanone 89.07
    2-pentanone 36.31
    anisole 26.45
    cyclopentyl methyl ether 74.36
    gamma-butyrolactone 122.85
    1-methoxy-2-propanol 107.01
    pyridine 47.96
    3-pentanone 35.99
    furfural 90.96
    n-dodecane 10.97
    diethylene glycol 146.56
    diisopropyl ether 21.92
    tert-amyl alcohol 118.23
    acetylacetone 34.12
    n-hexadecane 11.05
    acetophenone 28.67
    methyl propionate 44.92
    isopentyl acetate 69.04
    trichloroethylene 68.06
    n-nonanol 79.93
    cyclohexanol 109.36
    benzyl alcohol 28.84
    2-ethylhexanol 107.36
    isooctanol 73.13
    dipropyl ether 81.38
    1,2-dichlorobenzene 30.79
    ethyl lactate 40.77
    propylene carbonate 86.01
    n-methylformamide 52.36
    2-pentanol 77.2
    n-pentane 26.11
    1-propoxy-2-propanol 167.14
    1-methoxy-2-propyl acetate 76.9
    2-(2-methoxypropoxy) propanol 102.07
    mesitylene 12.91
    ε-caprolactone 100.57
    p-cymene 29.06
    epichlorohydrin 68.4
    1,1,1-trichloroethane 49.53
    2-aminoethanol 149.87
    morpholine-4-carbaldehyde 101.67
    sulfolane 133.63
    2,2,4-trimethylpentane 18.91
    2-methyltetrahydrofuran 107.23
    n-hexyl acetate 83.41
    isooctane 12.78
    2-(2-butoxyethoxy)ethanol 143.13
    sec-butyl acetate 27.8
    tert-butyl acetate 46.96
    decalin 14.05
    glycerin 163.44
    diglyme 153.3
    acrylic acid 132.03
    isopropyl myristate 41.08
    n-butyric acid 142.17
    acetyl acetate 37.73
    di(2-ethylhexyl) phthalate 44.77
    ethyl propionate 36.85
    nitromethane 100.17
    1,2-diethoxyethane 55.42
    benzonitrile 30.44
    trioctyl phosphate 39.94
    1-bromopropane 30.91
    gamma-valerolactone 118.9
    n-decanol 60.54
    triethyl phosphate 39.06
    4-methyl-2-pentanol 44.71
    propionitrile 45.34
    vinylene carbonate 64.69
    1,1,2-trichlorotrifluoroethane 122.77
    DMS 44.63
    cumene 13.97
    2-octanol 61.64
    2-hexanone 30.94
    octyl acetate 54.6
    limonene 48.89
    1,2-dimethoxyethane 65.7
    ethyl orthosilicate 40.63
    tributyl phosphate 44.93
    diacetone alcohol 70.95
    N,N-dimethylaniline 22.78
    acrylonitrile 43.63
    aniline 36.11
    1,3-propanediol 147.48
    bromobenzene 17.75
    dibromomethane 47.0
    1,1,2,2-tetrachloroethane 73.96
    2-methyl-cyclohexyl acetate 71.33
    tetrabutyl urea 49.76
    diisobutyl methanol 59.01
    2-phenylethanol 58.92
    styrene 10.32
    dioctyl adipate 54.43
    dimethyl sulfate 26.11
    ethyl butyrate 64.35
    methyl lactate 47.02
    butyl lactate 69.01
    diethyl carbonate 43.38
    propanediol butyl ether 119.55
    triethyl orthoformate 58.35
    p-tert-butyltoluene 32.26
    methyl 4-tert-butylbenzoate 72.44
    morpholine 129.21
    tert-butylamine 92.54
    n-dodecanol 46.82
    dimethoxymethane 36.59
    ethylene carbonate 58.15
    cyrene 74.3
    2-ethoxyethyl acetate 53.25
    2-ethylhexyl acetate 60.21
    1,2,4-trichlorobenzene 41.38
    4-methylpyridine 32.07
    dibutyl ether 48.98
    2,6-dimethyl-4-heptanol 59.01
    DEF 41.74
    dimethyl isosorbide 134.91
    tetrachloroethylene 67.77
    eugenol 72.11
    triacetin 72.88
    span 80 136.32
    1,4-butanediol 49.51
    1,1-dichloroethane 37.88
    2-methyl-1-pentanol 40.86
    methyl formate 35.45
    2-methyl-1-butanol 87.13
    n-decane 17.28
    butyronitrile 43.23
    3,7-dimethyl-1-octanol 74.98
    1-chlorooctane 40.74
    1-chlorotetradecane 19.38
    n-nonane 17.36
    undecane 13.28
    tert-butylcyclohexane 19.39
    cyclooctane 12.52
    cyclopentanol 120.0
    tetrahydropyran 101.72
    tert-amyl methyl ether 57.6
    2,5,8-trioxanonane 121.42
    1-hexene 33.54
    2-isopropoxyethanol 55.51
    2,2,2-trifluoroethanol 93.62
    methyl butyrate 41.37

    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
Asparagus officinalis (China) stem Asparagus officinalis L., fam. Liliaceae 0.49%
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.15%