1-Hexanol, 2,2-dimethyl-

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  • Identifiers

    CAS number
    2370-13-0

    Molecular formula
    C8H18O

    SMILES
    CCCCC(C)(C)CO

  • Odor profile

    Herbal 57.74%
    Oily 40.59%
    Fresh 39.82%
    Fermented 39.78%
    Green 38.8%
    Camphoreous 36.55%
    Ethereal 33.81%
    Woody 32.68%
    Citrus 32.45%
    Mint 32.31%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    175°C

    Flash point est.
    71.03 ˚C

  • Synonyms

    • 2,2-Dimethyl-1-hexanol
    • 2370-13-0
    • 2,2-dimethylhexan-1-ol
    • 1-HEXANOL, 2,2-DIMETHYL-
    • tert-Octanol
    • tert-Octyl alcohol
    • 2,2-Dimethylhexanol
    • 2,2-dimethyl-hexan-1-ol
    • BRN 1732737
    • Neooctanol
    • AI3-38566
    • 2,2-dimethyl hexanol
    • 3-01-00-01737 (Beilstein Handbook Reference)
    • SCHEMBL887744
    • DTXSID50178364
    • CAA37013
    • AKOS006274064
    • AS-58079
    • CS-0354548
    • A12319
    • EN300-1218202
    • F2147-6050

  • Applications

    1-Hexanol, 2,2-dimethyl- (CAS 2370-13-0) is a branched, hydrophobic C8 primary alcohol used primarily as a solvent/co-solvent for resins, coatings, printing inks, and adhesives due to its moderate evaporation rate and strong solvency for hydrophobic polymers; as an intermediate to produce esters (adipates, sebacates, trimellitates, acrylates, etc.) employed as PVC plasticizers, binder modifiers, and low-temperature plasticizers, or as lubricant esters with low pour points, good oxidative/thermal resistance, and excellent hydrolytic stability imparted by the 2,2-dimethyl (neo) structure; as a precursor to nonionic surfactants via ethoxylation/propoxylation and to sulfate/ether-sulfate surfactants for detergents, agrochemical emulsifiers, dispersants, and wetting agents; as a synthetic building block to introduce the 2,2-dimethylhexyl group into pharma/agro intermediates and to prepare fragrance esters for perfumes, personal care, and household products; and as a carrier/solvent in lubricant and corrosion-inhibitor packages, metalworking fluids, and ink flow/leveling aids, benefiting from its mild odor, low volatility, and broad formulation compatibility.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 602.94
    methanol 236.69
    isopropanol 801.08
    water 0.91
    ethyl acetate 347.78
    n-propanol 641.5
    acetone 339.75
    n-butanol 686.79
    acetonitrile 292.55
    DMF 253.66
    toluene 125.09
    isobutanol 592.52
    1,4-dioxane 572.26
    methyl acetate 304.48
    THF 904.94
    2-butanone 420.2
    n-pentanol 382.21
    sec-butanol 733.78
    n-hexane 145.34
    ethylene glycol 103.43
    NMP 288.83
    cyclohexane 162.13
    DMSO 294.39
    n-butyl acetate 691.93
    n-octanol 386.45
    chloroform 837.47
    n-propyl acetate 266.85
    acetic acid 338.47
    dichloromethane 574.06
    cyclohexanone 598.43
    propylene glycol 284.42
    isopropyl acetate 265.72
    DMAc 230.24
    2-ethoxyethanol 345.03
    isopentanol 650.14
    n-heptane 241.93
    ethyl formate 255.27
    1,2-dichloroethane 318.05
    n-hexanol 897.38
    2-methoxyethanol 496.96
    isobutyl acetate 224.29
    tetrachloromethane 224.73
    n-pentyl acetate 282.92
    transcutol 918.78
    n-heptanol 441.31
    ethylbenzene 113.56
    MIBK 265.3
    2-propoxyethanol 731.44
    tert-butanol 1107.34
    MTBE 612.52
    2-butoxyethanol 500.13
    propionic acid 384.76
    o-xylene 123.56
    formic acid 64.84
    diethyl ether 374.8
    m-xylene 125.02
    p-xylene 155.46
    chlorobenzene 182.08
    dimethyl carbonate 62.72
    n-octane 75.17
    formamide 73.62
    cyclopentanone 573.79
    2-pentanone 352.19
    anisole 197.68
    cyclopentyl methyl ether 417.25
    gamma-butyrolactone 519.23
    1-methoxy-2-propanol 505.57
    pyridine 313.64
    3-pentanone 220.64
    furfural 393.29
    n-dodecane 46.85
    diethylene glycol 366.49
    diisopropyl ether 188.07
    tert-amyl alcohol 843.61
    acetylacetone 262.55
    n-hexadecane 50.34
    acetophenone 174.56
    methyl propionate 210.12
    isopentyl acetate 645.79
    trichloroethylene 570.79
    n-nonanol 313.91
    cyclohexanol 560.46
    benzyl alcohol 171.55
    2-ethylhexanol 661.18
    isooctanol 394.39
    dipropyl ether 537.22
    1,2-dichlorobenzene 194.57
    ethyl lactate 156.93
    propylene carbonate 377.6
    n-methylformamide 166.44
    2-pentanol 541.99
    n-pentane 128.17
    1-propoxy-2-propanol 777.01
    1-methoxy-2-propyl acetate 411.33
    2-(2-methoxypropoxy) propanol 361.58
    mesitylene 107.57
    ε-caprolactone 498.87
    p-cymene 179.39
    epichlorohydrin 524.05
    1,1,1-trichloroethane 467.41
    2-aminoethanol 278.3
    morpholine-4-carbaldehyde 383.61
    sulfolane 518.6
    2,2,4-trimethylpentane 98.99
    2-methyltetrahydrofuran 764.52
    n-hexyl acetate 415.15
    isooctane 98.76
    2-(2-butoxyethoxy)ethanol 497.07
    sec-butyl acetate 226.73
    tert-butyl acetate 333.74
    decalin 86.68
    glycerin 283.85
    diglyme 646.07
    acrylic acid 236.86
    isopropyl myristate 188.3
    n-butyric acid 667.88
    acetyl acetate 166.83
    di(2-ethylhexyl) phthalate 164.54
    ethyl propionate 212.94
    nitromethane 319.35
    1,2-diethoxyethane 385.89
    benzonitrile 257.31
    trioctyl phosphate 161.48
    1-bromopropane 375.96
    gamma-valerolactone 607.35
    n-decanol 236.86
    triethyl phosphate 172.41
    4-methyl-2-pentanol 352.9
    propionitrile 370.78
    vinylene carbonate 279.55
    1,1,2-trichlorotrifluoroethane 422.03
    DMS 157.37
    cumene 118.72
    2-octanol 300.65
    2-hexanone 295.87
    octyl acetate 228.09
    limonene 316.54
    1,2-dimethoxyethane 470.07
    ethyl orthosilicate 189.64
    tributyl phosphate 175.56
    diacetone alcohol 415.8
    N,N-dimethylaniline 152.84
    acrylonitrile 284.02
    aniline 195.04
    1,3-propanediol 423.77
    bromobenzene 187.85
    dibromomethane 465.5
    1,1,2,2-tetrachloroethane 554.94
    2-methyl-cyclohexyl acetate 369.88
    tetrabutyl urea 189.53
    diisobutyl methanol 386.42
    2-phenylethanol 290.45
    styrene 114.47
    dioctyl adipate 235.16
    dimethyl sulfate 98.05
    ethyl butyrate 431.96
    methyl lactate 149.4
    butyl lactate 289.27
    diethyl carbonate 242.41
    propanediol butyl ether 449.76
    triethyl orthoformate 327.84
    p-tert-butyltoluene 189.68
    methyl 4-tert-butylbenzoate 287.21
    morpholine 697.28
    tert-butylamine 889.64
    n-dodecanol 186.27
    dimethoxymethane 195.97
    ethylene carbonate 260.08
    cyrene 240.54
    2-ethoxyethyl acetate 260.48
    2-ethylhexyl acetate 493.11
    1,2,4-trichlorobenzene 235.74
    4-methylpyridine 316.39
    dibutyl ether 335.02
    2,6-dimethyl-4-heptanol 386.42
    DEF 290.68
    dimethyl isosorbide 507.61
    tetrachloroethylene 339.42
    eugenol 259.83
    triacetin 270.08
    span 80 437.72
    1,4-butanediol 165.84
    1,1-dichloroethane 494.97
    2-methyl-1-pentanol 374.01
    methyl formate 119.94
    2-methyl-1-butanol 587.46
    n-decane 81.01
    butyronitrile 524.36
    3,7-dimethyl-1-octanol 381.61
    1-chlorooctane 220.35
    1-chlorotetradecane 91.09
    n-nonane 89.15
    undecane 58.75
    tert-butylcyclohexane 115.04
    cyclooctane 68.9
    cyclopentanol 592.78
    tetrahydropyran 723.87
    tert-amyl methyl ether 433.29
    2,5,8-trioxanonane 451.26
    1-hexene 296.54
    2-isopropoxyethanol 308.28
    2,2,2-trifluoroethanol 104.86
    methyl butyrate 313.41

    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
Ziziphora clinopodioides (Turkey) 2 Ziziphora clinopodioides Lam., fam. Lamiaceae (Labiatae) 0.25%