Limonene-1,2-diol

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  • Identifiers

    CAS number
    57457-97-3

    Molecular formula
    C10H18O2

    SMILES
    CC(=C)C1CCC(C(C1)O)(C)O

  • Odor profile

    Mint 47.44%
    Sweet 46.76%
    Herbal 45.39%
    Woody 40.86%
    Spicy 36.98%
    Camphoreous 35.45%
    Cooling 34.44%
    Citrus 31.46%
    Musty 27.66%
    Fresh 27.6%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.96 (weak base)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point est.
    115.48 ˚C

  • Synonyms

    • 57457-97-3
    • p-Menth-8-ene-1,2-diol
    • 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-
    • Limonene-1,2-diol
    • 1946-00-5
    • 1-methyl-4-prop-1-en-2-ylcyclohexane-1,2-diol
    • 1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol
    • p-Menth-8(9)-ene-1,2-diol
    • EINECS 217-745-4
    • Menth-8-ene-1,2-diol
    • 1-methyl-4-(1-methylethenyl)-1,2-cyclohexanediol
    • CHEBI:17219
    • DTXSID90862795
    • 1-Methyl-4-(1-methylvinyl)cyclohexane-1,2-diol
    • (1S,2S,4R)-(+)-Limonene-1,2-diol
    • a limonene-1,2-diol
    • 8-p-Menthen-1,2-diol
    • 8-p-Menthadien-1,2-diol
    • para-menth-8-en-1,2-diol
    • SCHEMBL131198
    • DTXCID80811515
    • HCA45797
    • AKOS022184789
    • DB-069705
    • NS00045313
    • 4-Isopropenyl-1-methyl-1,2-cyclohexanediol #
    • C18020
    • Q27102270
    • B0005-144417

  • Applications

    Limonene-1,2-diol (CAS 57457-97-3) is a chiral terpenoid diol leveraged as a renewable, bio-based building block across synthesis and manufacturing: as an intermediate for fragrance creation (conversion to esters, cyclic carbonates, or carveol/carvone-type derivatives) and as a co-solvent/odor-balancing component in perfumery with citrus oils; as a precursor and molecular handle in pharma and agrochemical discovery (source of chirality, chiral auxiliary, or attachment point to tune ADME); as a co-surfactant/co-emulsifier and solubilization aid owing to its hydrophilic diol head on a hydrophobic terpene backbone; as a “green” constituent of cleaners and industrial solvents with a pleasant scent; as a comonomer/chain extender for bio-derived polyesters, polyurethanes, and polymer networks (including use as a reactive diluent to lower VOC in coatings, adhesives, and sealants); and as a versatile formulation intermediate to adjust viscosity, adhesion, and compatibility in personal-care and cosmetic systems; its individual enantiomers are further employed in asymmetric synthesis and chiral resolution, making it a flexible platform for value-added terpene chemistry.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 558.03
    methanol 662.58
    isopropanol 427.71
    water 7.98
    ethyl acetate 168.13
    n-propanol 342.47
    acetone 166.75
    n-butanol 329.75
    acetonitrile 174.36
    DMF 195.58
    toluene 50.6
    isobutanol 199.31
    1,4-dioxane 622.59
    methyl acetate 132.27
    THF 660.76
    2-butanone 131.88
    n-pentanol 141.78
    sec-butanol 202.74
    n-hexane 3.26
    ethylene glycol 114.3
    NMP 92.01
    cyclohexane 11.34
    DMSO 208.42
    n-butyl acetate 115.21
    n-octanol 97.79
    chloroform 178.13
    n-propyl acetate 76.78
    acetic acid 240.96
    dichloromethane 136.2
    cyclohexanone 141.41
    propylene glycol 161.48
    isopropyl acetate 113.13
    DMAc 152.47
    2-ethoxyethanol 265.66
    isopentanol 240.97
    n-heptane 8.3
    ethyl formate 131.68
    1,2-dichloroethane 67.72
    n-hexanol 207.35
    2-methoxyethanol 632.41
    isobutyl acetate 54.9
    tetrachloromethane 28.15
    n-pentyl acetate 69.72
    transcutol 701.82
    n-heptanol 106.86
    ethylbenzene 25.69
    MIBK 98.76
    2-propoxyethanol 343.28
    tert-butanol 451.38
    MTBE 170.07
    2-butoxyethanol 191.45
    propionic acid 135.44
    o-xylene 38.9
    formic acid 168.92
    diethyl ether 144.15
    m-xylene 44.9
    p-xylene 37.34
    chlorobenzene 53.11
    dimethyl carbonate 42.17
    n-octane 4.63
    formamide 227.62
    cyclopentanone 178.97
    2-pentanone 128.0
    anisole 91.72
    cyclopentyl methyl ether 138.35
    gamma-butyrolactone 189.55
    1-methoxy-2-propanol 446.27
    pyridine 162.45
    3-pentanone 57.76
    furfural 205.27
    n-dodecane 4.5
    diethylene glycol 283.0
    diisopropyl ether 43.05
    tert-amyl alcohol 204.9
    acetylacetone 145.35
    n-hexadecane 4.92
    acetophenone 69.66
    methyl propionate 92.38
    isopentyl acetate 111.24
    trichloroethylene 129.92
    n-nonanol 84.76
    cyclohexanol 134.49
    benzyl alcohol 90.4
    2-ethylhexanol 90.83
    isooctanol 80.4
    dipropyl ether 80.25
    1,2-dichlorobenzene 45.01
    ethyl lactate 50.53
    propylene carbonate 112.96
    n-methylformamide 160.9
    2-pentanol 158.52
    n-pentane 6.39
    1-propoxy-2-propanol 239.62
    1-methoxy-2-propyl acetate 151.72
    2-(2-methoxypropoxy) propanol 162.5
    mesitylene 31.31
    ε-caprolactone 139.37
    p-cymene 29.33
    epichlorohydrin 230.07
    1,1,1-trichloroethane 63.81
    2-aminoethanol 263.36
    morpholine-4-carbaldehyde 267.95
    sulfolane 146.61
    2,2,4-trimethylpentane 5.9
    2-methyltetrahydrofuran 258.13
    n-hexyl acetate 100.23
    isooctane 7.03
    2-(2-butoxyethoxy)ethanol 262.87
    sec-butyl acetate 57.76
    tert-butyl acetate 125.72
    decalin 6.2
    glycerin 223.84
    diglyme 412.93
    acrylic acid 94.14
    isopropyl myristate 44.0
    n-butyric acid 253.7
    acetyl acetate 99.06
    di(2-ethylhexyl) phthalate 51.46
    ethyl propionate 61.27
    nitromethane 247.36
    1,2-diethoxyethane 182.17
    benzonitrile 89.08
    trioctyl phosphate 38.74
    1-bromopropane 43.01
    gamma-valerolactone 303.47
    n-decanol 61.96
    triethyl phosphate 38.71
    4-methyl-2-pentanol 107.6
    propionitrile 125.55
    vinylene carbonate 107.69
    1,1,2-trichlorotrifluoroethane 146.93
    DMS 55.26
    cumene 23.07
    2-octanol 62.21
    2-hexanone 70.03
    octyl acetate 55.71
    limonene 41.82
    1,2-dimethoxyethane 356.5
    ethyl orthosilicate 43.7
    tributyl phosphate 40.15
    diacetone alcohol 187.21
    N,N-dimethylaniline 57.07
    acrylonitrile 121.68
    aniline 108.13
    1,3-propanediol 439.23
    bromobenzene 42.25
    dibromomethane 74.45
    1,1,2,2-tetrachloroethane 106.88
    2-methyl-cyclohexyl acetate 69.52
    tetrabutyl urea 50.82
    diisobutyl methanol 63.46
    2-phenylethanol 112.0
    styrene 29.79
    dioctyl adipate 59.89
    dimethyl sulfate 50.38
    ethyl butyrate 84.35
    methyl lactate 81.63
    butyl lactate 68.48
    diethyl carbonate 51.31
    propanediol butyl ether 173.82
    triethyl orthoformate 66.74
    p-tert-butyltoluene 32.55
    methyl 4-tert-butylbenzoate 91.52
    morpholine 588.1
    tert-butylamine 215.83
    n-dodecanol 44.61
    dimethoxymethane 206.9
    ethylene carbonate 98.9
    cyrene 108.87
    2-ethoxyethyl acetate 108.66
    2-ethylhexyl acetate 72.76
    1,2,4-trichlorobenzene 53.7
    4-methylpyridine 142.04
    dibutyl ether 66.37
    2,6-dimethyl-4-heptanol 63.46
    DEF 102.65
    dimethyl isosorbide 209.61
    tetrachloroethylene 75.33
    eugenol 97.35
    triacetin 89.19
    span 80 138.66
    1,4-butanediol 104.12
    1,1-dichloroethane 77.39
    2-methyl-1-pentanol 105.71
    methyl formate 109.39
    2-methyl-1-butanol 168.88
    n-decane 7.8
    butyronitrile 176.61
    3,7-dimethyl-1-octanol 94.31
    1-chlorooctane 30.32
    1-chlorotetradecane 12.19
    n-nonane 6.56
    undecane 5.65
    tert-butylcyclohexane 6.81
    cyclooctane 4.99
    cyclopentanol 158.34
    tetrahydropyran 311.22
    tert-amyl methyl ether 91.76
    2,5,8-trioxanonane 285.1
    1-hexene 15.71
    2-isopropoxyethanol 159.76
    2,2,2-trifluoroethanol 70.94
    methyl butyrate 81.47

    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
Gingergrass (India) 6 Cymbopogon martini Stapf., var. sofia, fam. Poaceae (Gramineae) 1.0%