1,4-Cyclohexanediol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    556-48-9

    Molecular formula
    C6H12O2

    SMILES
    C1CC(CCC1O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Alcoholic 40.57%
    Sweet 38.2%
    Odorless 36.87%
    Solvent 35.82%
    Caramellic 30.35%
    Ethereal 30.1%
    Fermented 28.73%
    Oily 28.48%
    Musty 26.23%
    Buttery 22.98%

    Scent© AI

  • Properties

    XLogP3-AA
    0.2

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    265°C

    Flash point est.
    123.27 ˚C

  • Synonyms

    • 1,4-CYCLOHEXANEDIOL
    • cis-1,4-Cyclohexanediol
    • Cyclohexane-1,4-diol
    • trans-1,4-Cyclohexanediol
    • 556-48-9
    • 6995-79-5
    • 931-71-5
    • trans-Cyclohexane-1,4-diol
    • CIS-CYCLOHEXANE-1,4-DIOL
    • Quinitol
    • 1,4-Cyclohexanediol, trans-
    • 1,4-Cyclohexanediol, cis-
    • trans-1,4-Dihydroxycyclohexane
    • Hexahydrohydroquinone
    • Quinitol,c&t
    • MFCD00001448
    • (1r,4r)-cyclohexane-1,4-diol
    • EINECS 209-126-2
    • MFCD00063612
    • MFCD00075462
    • 1,4-Cyclohexanediol,c&t
    • cis-1,4-Dihydroxycyclohexane
    • 1,4-Cyclohexanediol cis+trans
    • AI3-52305
    • (1s,4s)-cyclohexane-1,4-diol
    • DTXSID20871178
    • NSC 5651
    • 1,4-Cyclohexanediol (Cis/Trans Mixture)
    • 1,4-cyclohexandiol
    • 1,4-Dihydroxycyclohexane; NSC 5651; Quinitol
    • 1,4-Cyclohexanediol, cis + trans
    • Cyclohexane1,4diol
    • NSC 5730
    • EINECS 213-240-8
    • 1,a4-aCyclohexanediol
    • AI3-06464
    • 1,4-Dihydroxycyclohexane
    • cis-4-hydroxy-cyclohexanol
    • SCHEMBL28182
    • 1,4-Cyclohexanediol, 99%
    • SCHEMBL102859
    • SCHEMBL275681
    • SCHEMBL787503
    • 1,4-Cyclohexanediol, (E)-
    • 1,4-Cyclohexanediol, (Z)-
    • (trans)-cyclohexane-1,4-diol
    • CHEMBL3948618
    • DTXCID00818849
    • DTXSID60878843
    • DTXSID60883614
    • NSC5651
    • NSC5730
    • NSC-5651
    • NSC-5730
    • STR08594
    • rac-(1s,4s)-cyclohexane-1,4-diol
    • TD8009
    • AKOS006282972
    • AKOS006283462
    • AKOS015912876
    • AB02551
    • CS-W005575
    • CS-W007850
    • PB27420
    • AS-50386
    • SY001809
    • SY040970
    • SY099933
    • DB-003159
    • DB-008704
    • DB-318939
    • C2319
    • C2320
    • CS-0049754
    • NS00042681
    • NS00080163
    • EN300-75448
    • P10063
    • Q16912255
    • Z1178486717
    • 209-126-2
    • 71J

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.73
    methanol 169.2
    isopropanol 68.23
    water 18.81
    ethyl acetate 26.63
    n-propanol 75.55
    acetone 35.99
    n-butanol 56.25
    acetonitrile 33.76
    DMF 92.15
    toluene 4.09
    isobutanol 43.55
    1,4-dioxane 57.6
    methyl acetate 35.24
    THF 102.63
    2-butanone 33.02
    n-pentanol 32.89
    sec-butanol 47.45
    n-hexane 2.75
    ethylene glycol 63.78
    NMP 85.5
    cyclohexane 2.4
    DMSO 131.52
    n-butyl acetate 24.58
    n-octanol 25.7
    chloroform 71.13
    n-propyl acetate 19.29
    acetic acid 97.29
    dichloromethane 41.9
    cyclohexanone 47.47
    propylene glycol 67.49
    isopropyl acetate 17.22
    DMAc 75.65
    2-ethoxyethanol 68.72
    isopentanol 36.63
    n-heptane 5.0
    ethyl formate 41.36
    1,2-dichloroethane 24.14
    n-hexanol 49.37
    2-methoxyethanol 133.12
    isobutyl acetate 12.65
    tetrachloromethane 20.78
    n-pentyl acetate 21.78
    transcutol 99.97
    n-heptanol 33.69
    ethylbenzene 5.06
    MIBK 16.65
    2-propoxyethanol 85.7
    tert-butanol 67.45
    MTBE 20.73
    2-butoxyethanol 64.36
    propionic acid 84.24
    o-xylene 6.23
    formic acid 97.65
    diethyl ether 15.99
    m-xylene 5.58
    p-xylene 7.15
    chlorobenzene 12.43
    dimethyl carbonate 13.14
    n-octane 2.55
    formamide 99.94
    cyclopentanone 87.69
    2-pentanone 23.19
    anisole 14.56
    cyclopentyl methyl ether 28.09
    gamma-butyrolactone 117.79
    1-methoxy-2-propanol 90.04
    pyridine 32.83
    3-pentanone 16.54
    furfural 100.33
    n-dodecane 2.21
    diethylene glycol 90.8
    diisopropyl ether 6.27
    tert-amyl alcohol 49.3
    acetylacetone 31.28
    n-hexadecane 2.3
    acetophenone 20.12
    methyl propionate 26.74
    isopentyl acetate 21.49
    trichloroethylene 51.57
    n-nonanol 22.99
    cyclohexanol 29.26
    benzyl alcohol 21.95
    2-ethylhexanol 24.49
    isooctanol 24.67
    dipropyl ether 19.3
    1,2-dichlorobenzene 16.43
    ethyl lactate 24.47
    propylene carbonate 59.83
    n-methylformamide 101.1
    2-pentanol 28.9
    n-pentane 2.27
    1-propoxy-2-propanol 58.78
    1-methoxy-2-propyl acetate 28.87
    2-(2-methoxypropoxy) propanol 41.0
    mesitylene 5.03
    ε-caprolactone 48.58
    p-cymene 8.99
    epichlorohydrin 68.54
    1,1,1-trichloroethane 27.82
    2-aminoethanol 101.64
    morpholine-4-carbaldehyde 88.77
    sulfolane 126.72
    2,2,4-trimethylpentane 2.02
    2-methyltetrahydrofuran 50.67
    n-hexyl acetate 27.45
    isooctane 1.88
    2-(2-butoxyethoxy)ethanol 56.32
    sec-butyl acetate 11.88
    tert-butyl acetate 20.63
    decalin 2.41
    glycerin 110.17
    diglyme 85.55
    acrylic acid 77.87
    isopropyl myristate 12.24
    n-butyric acid 87.61
    acetyl acetate 20.7
    di(2-ethylhexyl) phthalate 15.82
    ethyl propionate 16.94
    nitromethane 112.75
    1,2-diethoxyethane 22.86
    benzonitrile 22.91
    trioctyl phosphate 13.75
    1-bromopropane 12.97
    gamma-valerolactone 103.49
    n-decanol 16.76
    triethyl phosphate 15.35
    4-methyl-2-pentanol 18.12
    propionitrile 33.57
    vinylene carbonate 50.19
    1,1,2-trichlorotrifluoroethane 92.74
    DMS 17.71
    cumene 6.0
    2-octanol 19.28
    2-hexanone 19.16
    octyl acetate 16.41
    limonene 11.28
    1,2-dimethoxyethane 68.66
    ethyl orthosilicate 14.79
    tributyl phosphate 14.2
    diacetone alcohol 43.99
    N,N-dimethylaniline 13.85
    acrylonitrile 49.19
    aniline 17.5
    1,3-propanediol 109.81
    bromobenzene 9.58
    dibromomethane 27.04
    1,1,2,2-tetrachloroethane 52.38
    2-methyl-cyclohexyl acetate 20.79
    tetrabutyl urea 18.61
    diisobutyl methanol 16.24
    2-phenylethanol 27.36
    styrene 5.18
    dioctyl adipate 16.89
    dimethyl sulfate 30.1
    ethyl butyrate 20.2
    methyl lactate 41.44
    butyl lactate 28.93
    diethyl carbonate 14.05
    propanediol butyl ether 52.79
    triethyl orthoformate 18.26
    p-tert-butyltoluene 9.61
    methyl 4-tert-butylbenzoate 30.44
    morpholine 66.97
    tert-butylamine 35.1
    n-dodecanol 12.29
    dimethoxymethane 39.08
    ethylene carbonate 40.31
    cyrene 39.25
    2-ethoxyethyl acetate 25.36
    2-ethylhexyl acetate 17.05
    1,2,4-trichlorobenzene 18.68
    4-methylpyridine 25.5
    dibutyl ether 13.7
    2,6-dimethyl-4-heptanol 16.24
    DEF 32.5
    dimethyl isosorbide 60.44
    tetrachloroethylene 45.38
    eugenol 34.95
    triacetin 27.46
    span 80 40.67
    1,4-butanediol 41.39
    1,1-dichloroethane 24.09
    2-methyl-1-pentanol 23.41
    methyl formate 62.38
    2-methyl-1-butanol 34.65
    n-decane 3.43
    butyronitrile 30.21
    3,7-dimethyl-1-octanol 21.39
    1-chlorooctane 10.73
    1-chlorotetradecane 4.73
    n-nonane 3.13
    undecane 2.61
    tert-butylcyclohexane 2.96
    cyclooctane 1.44
    cyclopentanol 55.97
    tetrahydropyran 34.49
    tert-amyl methyl ether 16.55
    2,5,8-trioxanonane 63.78
    1-hexene 7.54
    2-isopropoxyethanol 38.8
    2,2,2-trifluoroethanol 64.8
    methyl butyrate 25.63

    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
Chicory root, roasted 2 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.61%