3,5-Dimethylcyclohexan-1-ol

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  • Identifiers

    CAS number
    5441-52-1

    Molecular formula
    C8H16O

    SMILES
    CC1CC(CC(C1)O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 54.7%
    Fruity 50.47%
    Herbal 48.42%
    Musty 39.96%
    Camphoreous 39.34%
    Cooling 37.95%
    Fresh 35.37%
    Solvent 35.36%
    Sweet 33.83%
    Earthy 32.85%

     

    Flavor
    Sweet 47.8%
    Minty 44.53%
    Herbal 32.59%
    Camphor 31.18%
    Medicinal 27.41%
    Woody 26.11%
    Camphoraceous 23.6%
    Mentholic 23.1%
    Musty 23.09%
    Earthy 22.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.29 (weak base)

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    191°C

    Flash point

    • 69.4 ˚C est.

  • Synonyms

    • 3,5-DIMETHYLCYCLOHEXANOL
    • 5441-52-1
    • 3,5-Dimethylcyclohexan-1-ol
    • EINECS 226-630-8
    • DTXSID20871133
    • NSC 21130
    • RefChem:487027
    • DTXCID60818805
    • 226-630-8
    • Cyclohexanol, 3,5-dimethyl-
    • MFCD00001447
    • 767-13-5
    • 3.5-Dimethylcyclohexanol
    • (1alpha,3alpha,5alpha)-3,5-Dimethylcyclohexanol
    • 17373-17-0
    • 767-14-6
    • (1alpha,3alpha,5beta)-3,5-Dimethylcyclohexanol
    • NSC21130
    • Cyclohexanol,5-dimethyl-
    • 3,5-dimethyl-cyclohexanol
    • 3,5-Dimethylcyclohexanol,c&t
    • SCHEMBL961521
    • SCHEMBL1008936
    • SCHEMBL27605705
    • CHEBI:88850
    • NSC-21130
    • AKOS009156899
    • AB86515
    • BS-28603
    • SY051476
    • SY246767
    • DS-017948
    • CS-0188357
    • D0702
    • NS00044477
    • 3,5-Dimethylcyclohexanol - mixture of isomers
    • EN300-72416
    • D89705
    • (1beta,3alpha,5alpha)-3,5-Dimethylcyclohexanol
    • 1-(1-Adamantyl)-N-(1-naphthylmethyl)ethanamine
    • F229964
    • Q27160848
    • 5,5-Diethyl-6-methylsulfanyl-5H-pyrimidine-2,4-dione
    • Z1147526321
    • (1.alpha.,3.alpha.,5.alpha.)-3,5-Dimethyl-cyclohexanol
    • (1.alpha.,3.alpha.,5.beta.)-3,5-Dimethyl-cyclohexanol
    • (1.beta.,3.alpha.,5.alpha.)-3,5-Dimethyl-cyclohexanol
    • 5,5-Diethyl-3-methyl-6-methylimino-dihydro-pyrimidine-2,4-dione
    • 4-(1,3-Benzodioxol-5-yl)-1-(3-chlorophenyl)-3-phenoxy-2-azetidinone
    • (6Z)-5,5-Diethyl-3-methyl-6-[(Z)-methylimino]dihydro-2,4(1H,3H)-pyrimidinedione
    • 4-(4-Hydroxy-phenyl)-1-(tetrahydro-furan-2-ylmethyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
    • Dimethyl 4-(4-hydroxyphenyl)-1-(tetrahydro-2-furanylmethyl)-1,4-dihydro-3,5-pyridinedicarboxylate
    • 5441-52-1

  • Applications

    3,5-Dimethylcyclohexan-1-ol, CAS 5441-52-1, is primarily used as a chemical intermediate in fragrance and flavor compound synthesis, serving as a precursor for odorant esters and related aroma materials. It is also evaluated for use in cosmetics and personal-care formulations as a fragrance ingredient or solvent/solubilizer for other fragrance components. In industrial manufacturing, it can function as a building block for further transformations to produce specialty additives for polymers, coatings and inks. It may also be employed as a starting material in the synthesis of aroma-related intermediates used in household and cleaning-product formulations. Use is typically formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1380.26
    methanol 1666.74
    isopropanol 992.3
    water 2.06
    ethyl acetate 469.32
    n-propanol 1046.87
    acetone 728.98
    n-butanol 901.91
    acetonitrile 590.22
    DMF 278.08
    toluene 139.09
    isobutanol 631.07
    1,4-dioxane 1136.31
    methyl acetate 422.66
    THF 2020.79
    2-butanone 506.97
    n-pentanol 441.69
    sec-butanol 636.31
    n-hexane 254.66
    ethylene glycol 157.49
    NMP 392.33
    cyclohexane 287.51
    DMSO 476.14
    n-butyl acetate 711.43
    n-octanol 309.53
    chloroform 952.94
    n-propyl acetate 297.77
    acetic acid 754.56
    dichloromethane 645.88
    cyclohexanone 712.56
    propylene glycol 225.77
    isopropyl acetate 292.69
    DMAc 161.93
    2-ethoxyethanol 380.77
    isopentanol 595.86
    n-heptane 248.87
    ethyl formate 310.35
    1,2-dichloroethane 402.84
    n-hexanol 1063.53
    2-methoxyethanol 721.26
    isobutyl acetate 207.07
    tetrachloromethane 212.4
    n-pentyl acetate 291.64
    transcutol 1123.85
    n-heptanol 353.91
    ethylbenzene 71.11
    MIBK 254.78
    2-propoxyethanol 960.6
    tert-butanol 879.82
    MTBE 664.19
    2-butoxyethanol 443.14
    propionic acid 558.42
    o-xylene 93.72
    formic acid 227.66
    diethyl ether 776.16
    m-xylene 117.96
    p-xylene 97.24
    chlorobenzene 228.64
    dimethyl carbonate 69.57
    n-octane 64.17
    formamide 179.88
    cyclopentanone 827.66
    2-pentanone 445.27
    anisole 142.89
    cyclopentyl methyl ether 630.6
    gamma-butyrolactone 916.7
    1-methoxy-2-propanol 456.14
    pyridine 431.92
    3-pentanone 269.54
    furfural 492.95
    n-dodecane 40.91
    diethylene glycol 486.26
    diisopropyl ether 231.09
    tert-amyl alcohol 548.17
    acetylacetone 309.8
    n-hexadecane 45.4
    acetophenone 117.44
    methyl propionate 272.97
    isopentyl acetate 534.5
    trichloroethylene 618.37
    n-nonanol 259.2
    cyclohexanol 600.91
    benzyl alcohol 136.63
    2-ethylhexanol 507.8
    isooctanol 254.63
    dipropyl ether 622.91
    1,2-dichlorobenzene 186.0
    ethyl lactate 101.58
    propylene carbonate 439.18
    n-methylformamide 325.23
    2-pentanol 522.44
    n-pentane 244.56
    1-propoxy-2-propanol 745.78
    1-methoxy-2-propyl acetate 401.44
    2-(2-methoxypropoxy) propanol 245.56
    mesitylene 90.18
    ε-caprolactone 578.14
    p-cymene 107.79
    epichlorohydrin 714.67
    1,1,1-trichloroethane 447.39
    2-aminoethanol 389.56
    morpholine-4-carbaldehyde 411.67
    sulfolane 695.73
    2,2,4-trimethylpentane 80.81
    2-methyltetrahydrofuran 1176.47
    n-hexyl acetate 402.61
    isooctane 80.33
    2-(2-butoxyethoxy)ethanol 422.94
    sec-butyl acetate 184.09
    tert-butyl acetate 321.83
    decalin 72.54
    glycerin 251.59
    diglyme 616.5
    acrylic acid 347.71
    isopropyl myristate 148.91
    n-butyric acid 774.48
    acetyl acetate 235.45
    di(2-ethylhexyl) phthalate 111.55
    ethyl propionate 199.69
    nitromethane 642.3
    1,2-diethoxyethane 500.8
    benzonitrile 227.64
    trioctyl phosphate 105.75
    1-bromopropane 421.68
    gamma-valerolactone 837.88
    n-decanol 191.08
    triethyl phosphate 104.47
    4-methyl-2-pentanol 272.5
    propionitrile 515.32
    vinylene carbonate 311.25
    1,1,2-trichlorotrifluoroethane 383.89
    DMS 160.62
    cumene 63.15
    2-octanol 213.93
    2-hexanone 332.97
    octyl acetate 187.02
    limonene 222.24
    1,2-dimethoxyethane 528.33
    ethyl orthosilicate 121.5
    tributyl phosphate 130.55
    diacetone alcohol 326.06
    N,N-dimethylaniline 85.05
    acrylonitrile 397.91
    aniline 231.08
    1,3-propanediol 537.37
    bromobenzene 210.76
    dibromomethane 535.85
    1,1,2,2-tetrachloroethane 513.29
    2-methyl-cyclohexyl acetate 240.11
    tetrabutyl urea 138.41
    diisobutyl methanol 263.13
    2-phenylethanol 265.29
    styrene 81.15
    dioctyl adipate 159.56
    dimethyl sulfate 89.58
    ethyl butyrate 341.03
    methyl lactate 123.18
    butyl lactate 212.45
    diethyl carbonate 170.63
    propanediol butyl ether 321.8
    triethyl orthoformate 234.05
    p-tert-butyltoluene 111.17
    methyl 4-tert-butylbenzoate 163.25
    morpholine 1086.53
    tert-butylamine 699.81
    n-dodecanol 143.38
    dimethoxymethane 296.07
    ethylene carbonate 313.3
    cyrene 151.38
    2-ethoxyethyl acetate 299.25
    2-ethylhexyl acetate 409.75
    1,2,4-trichlorobenzene 213.74
    4-methylpyridine 351.89
    dibutyl ether 378.71
    2,6-dimethyl-4-heptanol 263.13
    DEF 284.72
    dimethyl isosorbide 370.79
    tetrachloroethylene 377.59
    eugenol 157.1
    triacetin 212.54
    span 80 289.97
    1,4-butanediol 174.15
    1,1-dichloroethane 517.88
    2-methyl-1-pentanol 300.46
    methyl formate 225.69
    2-methyl-1-butanol 524.53
    n-decane 75.05
    butyronitrile 669.19
    3,7-dimethyl-1-octanol 304.12
    1-chlorooctane 207.9
    1-chlorotetradecane 77.66
    n-nonane 82.21
    undecane 52.9
    tert-butylcyclohexane 82.02
    cyclooctane 89.29
    cyclopentanol 695.65
    tetrahydropyran 1288.01
    tert-amyl methyl ether 356.59
    2,5,8-trioxanonane 367.15
    1-hexene 426.29
    2-isopropoxyethanol 264.88
    2,2,2-trifluoroethanol 177.1
    methyl butyrate 261.17

    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