3,4-Dimethylhexan-1-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    66576-57-6

    Molecular formula
    C8H18O

    SMILES
    CCC(C)C(C)CCO

  • Odor profile

    Fragrance
    Floral 73.14%
    Green 58.37%
    Rose 53.49%
    Woody 51.1%
    Fresh 44.57%
    Sweet 42.88%
    Fruity 41.38%
    Citrus 40.69%
    Oily 40.57%
    Lily 38.37%

     

    Flavor
    Green 58.04%
    Fresh 44.12%
    Floral 40.72%
    Citrus 40.12%
    Waxy 39.26%
    Fruity 34.72%
    Oily 32.03%
    Musty 30.47%
    Aldehydic 29.74%
    Lily 27.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.35 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    184°C

    Flash point

    • 75.03 ˚C est.

  • Synonyms

    • 3,4-Dimethylhexan-1-ol
    • 66576-57-6
    • DTXSID70611804
    • 3,4-dimethylhexanol
    • SCHEMBL1442505
    • DTXCID20562559
    • QVFKMROLPSPCIX-UHFFFAOYSA-N
    • EN300-1634053

  • Applications

    3,4-Dimethylhexan-1-ol (CAS 66576-57-6) is primarily used as an intermediate in the synthesis of fragrance compounds and odorants for perfumery, and may function as a solvent or carrier in cosmetic and personal care formulations. It is also employed as a precursor for fragrance esters and related aroma derivatives. In the materials and coatings sectors, it can act as a solvent or formulation additive for paints, inks, and adhesives, or as a building block for polymers and plastics. Additionally, it may be considered as a solvent or fragrance carrier in cleaning products and household formulations. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2564.76
    methanol 1179.6
    isopropanol 2646.28
    water 0.86
    ethyl acetate 978.74
    n-propanol 2380.68
    acetone 1263.18
    n-butanol 2193.79
    acetonitrile 1163.66
    DMF 659.81
    toluene 236.69
    isobutanol 1711.72
    1,4-dioxane 2355.71
    methyl acetate 826.71
    THF 3580.82
    2-butanone 1084.47
    n-pentanol 944.84
    sec-butanol 1760.08
    n-hexane 194.81
    ethylene glycol 250.08
    NMP 691.53
    cyclohexane 391.5
    DMSO 1276.42
    n-butyl acetate 1349.67
    n-octanol 446.74
    chloroform 1908.84
    n-propyl acetate 557.37
    acetic acid 980.56
    dichloromethane 1763.72
    cyclohexanone 1746.37
    propylene glycol 486.3
    isopropyl acetate 513.52
    DMAc 325.09
    2-ethoxyethanol 744.8
    isopentanol 1517.29
    n-heptane 361.04
    ethyl formate 754.91
    1,2-dichloroethane 1101.51
    n-hexanol 2015.85
    2-methoxyethanol 1609.54
    isobutyl acetate 328.28
    tetrachloromethane 538.43
    n-pentyl acetate 435.07
    transcutol 1573.63
    n-heptanol 617.45
    ethylbenzene 132.25
    MIBK 427.07
    2-propoxyethanol 1676.18
    tert-butanol 2631.92
    MTBE 1353.74
    2-butoxyethanol 760.53
    propionic acid 987.08
    o-xylene 162.68
    formic acid 187.2
    diethyl ether 1241.31
    m-xylene 179.98
    p-xylene 174.18
    chlorobenzene 427.11
    dimethyl carbonate 94.35
    n-octane 83.03
    formamide 260.53
    cyclopentanone 1783.04
    2-pentanone 850.72
    anisole 285.29
    cyclopentyl methyl ether 1090.02
    gamma-butyrolactone 1711.99
    1-methoxy-2-propanol 1201.6
    pyridine 973.04
    3-pentanone 468.74
    furfural 922.76
    n-dodecane 42.74
    diethylene glycol 782.65
    diisopropyl ether 330.09
    tert-amyl alcohol 1489.89
    acetylacetone 568.26
    n-hexadecane 48.64
    acetophenone 218.61
    methyl propionate 508.84
    isopentyl acetate 954.56
    trichloroethylene 1491.78
    n-nonanol 360.35
    cyclohexanol 1524.49
    benzyl alcohol 268.67
    2-ethylhexanol 1012.63
    isooctanol 442.93
    dipropyl ether 1135.42
    1,2-dichlorobenzene 344.44
    ethyl lactate 186.37
    propylene carbonate 780.05
    n-methylformamide 576.02
    2-pentanol 1185.21
    n-pentane 233.03
    1-propoxy-2-propanol 1403.58
    1-methoxy-2-propyl acetate 679.85
    2-(2-methoxypropoxy) propanol 381.0
    mesitylene 127.22
    ε-caprolactone 1219.52
    p-cymene 199.64
    epichlorohydrin 1768.59
    1,1,1-trichloroethane 1186.82
    2-aminoethanol 731.98
    morpholine-4-carbaldehyde 869.77
    sulfolane 1389.28
    2,2,4-trimethylpentane 104.59
    2-methyltetrahydrofuran 2623.89
    n-hexyl acetate 548.75
    isooctane 96.24
    2-(2-butoxyethoxy)ethanol 661.33
    sec-butyl acetate 328.46
    tert-butyl acetate 511.25
    decalin 101.95
    glycerin 454.27
    diglyme 1100.12
    acrylic acid 528.63
    isopropyl myristate 204.9
    n-butyric acid 1848.98
    acetyl acetate 338.53
    di(2-ethylhexyl) phthalate 163.67
    ethyl propionate 383.32
    nitromethane 1067.8
    1,2-diethoxyethane 835.17
    benzonitrile 457.92
    trioctyl phosphate 168.13
    1-bromopropane 1013.27
    gamma-valerolactone 1762.11
    n-decanol 259.33
    triethyl phosphate 194.03
    4-methyl-2-pentanol 502.39
    propionitrile 1122.72
    vinylene carbonate 567.97
    1,1,2-trichlorotrifluoroethane 776.61
    DMS 220.93
    cumene 107.49
    2-octanol 358.41
    2-hexanone 582.32
    octyl acetate 255.29
    limonene 434.81
    1,2-dimethoxyethane 1195.51
    ethyl orthosilicate 218.71
    tributyl phosphate 186.81
    diacetone alcohol 659.74
    N,N-dimethylaniline 154.23
    acrylonitrile 867.72
    aniline 457.91
    1,3-propanediol 1302.53
    bromobenzene 396.52
    dibromomethane 1383.42
    1,1,2,2-tetrachloroethane 1164.6
    2-methyl-cyclohexyl acetate 400.98
    tetrabutyl urea 209.91
    diisobutyl methanol 465.4
    2-phenylethanol 451.15
    styrene 157.69
    dioctyl adipate 245.13
    dimethyl sulfate 156.06
    ethyl butyrate 731.16
    methyl lactate 213.44
    butyl lactate 336.76
    diethyl carbonate 348.54
    propanediol butyl ether 509.23
    triethyl orthoformate 459.69
    p-tert-butyltoluene 197.06
    methyl 4-tert-butylbenzoate 258.29
    morpholine 2853.11
    tert-butylamine 1738.62
    n-dodecanol 197.81
    dimethoxymethane 530.42
    ethylene carbonate 573.62
    cyrene 260.32
    2-ethoxyethyl acetate 426.46
    2-ethylhexyl acetate 710.7
    1,2,4-trichlorobenzene 386.68
    4-methylpyridine 780.81
    dibutyl ether 549.41
    2,6-dimethyl-4-heptanol 465.4
    DEF 647.71
    dimethyl isosorbide 614.68
    tetrachloroethylene 780.13
    eugenol 253.76
    triacetin 279.52
    span 80 479.45
    1,4-butanediol 336.71
    1,1-dichloroethane 1430.59
    2-methyl-1-pentanol 648.66
    methyl formate 368.92
    2-methyl-1-butanol 1316.92
    n-decane 81.4
    butyronitrile 1540.06
    3,7-dimethyl-1-octanol 429.86
    1-chlorooctane 275.91
    1-chlorotetradecane 93.24
    n-nonane 90.34
    undecane 56.98
    tert-butylcyclohexane 108.96
    cyclooctane 102.63
    cyclopentanol 1820.18
    tetrahydropyran 2925.93
    tert-amyl methyl ether 678.6
    2,5,8-trioxanonane 620.97
    1-hexene 528.05
    2-isopropoxyethanol 537.92
    2,2,2-trifluoroethanol 217.56
    methyl butyrate 598.42

    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
Cymbidium sinense flower headspace (China) Cymbidium sinense (Andr.) Willd., fam. Orchidaceae 1.12%