Terpin hydrate

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  • Identifiers

    CAS number
    2451-01-6

    Molecular formula
    C10H22O3

    SMILES
    CC1(CCC(CC1)C(C)(C)O)O.O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Camphoreous 61.87%
    Mint 54.84%
    Woody 51.41%
    Pine 49.65%
    Herbal 46.82%
    Earthy 41.25%
    Sweet 40.9%
    Balsamic 37.13%
    Musty 37.12%
    Cooling 36.97%

     

    Flavor
    Sweet 43.14%
    Herbal 35.12%
    Minty 31.33%
    Woody 28.63%
    Pine 28.58%
    Earthy 25.89%
    Camphor 25.81%
    Pungent 24.08%
    Eucalyptus 23.99%
    Mild 23.98%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    9.9 (weak base)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    256°C

    Melting point expt.

    • 116 undefined

    Flash point

    • 118.53 ˚C est.

    Solubility expt.

    • Partially soluble in cold water

  • Synonyms

    • TERPIN HYDRATE
    • 2451-01-6
    • Terpin monohydrate
    • Terpin (hydrate)
    • p-Menthane-1,8-diol monohydrate
    • Terpin cis-form hydrate
    • Terpinol hydrate
    • cis-Terpin hydrate
    • terpinene hydrate
    • Terpinol
    • Cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-, hydrate (1:1), cis-
    • cis-p-methane-1,8-diol monohydrate
    • Cis-p-menthane-1,8-diol monohydrate
    • NSC-760418
    • S3V868548T
    • Cyclohexanemethanol, 4-hydroxy-alpha,alpha,4-trimethyl-, monohydrate
    • TERPIN HYDRATE [VANDF]
    • TERPIN HYDRATE [MART.]
    • TERPIN HYDRATE [USP-RS]
    • TERPIN HYDRATE [WHO-DD]
    • p-Menthane-1,8-diol, monohydrate
    • TERPIN CIS-FORM HYDRATE [MI]
    • Terpin monohydrate;cis-Terpin hydrate
    • TERPIN HYDRATE [USP MONOGRAPH]
    • Terpin hydrate (USP)
    • Terpin hydrate [USP]
    • TERPIN MONOHYDRATE [EP MONOGRAPH]
    • TERPIN HYDRATE (MART.)
    • TERPIN HYDRATE (USP-RS)
    • rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate
    • (1S,4S)-4-(2-HYDROXYPROPAN-2-YL)-1-METHYLCYCLOHEXAN-1-OL HYDRATE
    • TERPIN HYDRATE (USP MONOGRAPH)
    • CYCLOHEXANEMETHANOL, 4-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, HYDRATE (1:1), CIS-
    • CYCLOHEXANEMETHANOL, 4-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, MONOHYDRATE
    • TERPIN MONOHYDRATE (EP MONOGRAPH)
    • Terpocodein
    • Cheracol
    • terpine hydrate
    • MFCD00167312
    • TERPINHYDRATE
    • AI3-01762
    • SCHEMBL29867
    • Terpin (hydrate) (Standard)
    • SCHEMBL2487459
    • CHEMBL2105614
    • UNII-S3V868548T
    • HY-B1063R
    • 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate
    • 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol,hydrate
    • 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate
    • DTXSID00947401
    • JGKJMBOJWVAMIJ-UHFFFAOYSA-N
    • DTXSID201019020
    • HMS3264B12
    • HY-B1063
    • s4577
    • AKOS016013500
    • AKOS024288517
    • CCG-213672
    • CCG-266507
    • CS-4619
    • DB13163
    • KS-1430
    • NSC 760418
    • cis-1 pound not8-p-Menthanediol monohydrate
    • D06081
    • D92597
    • EN300-8109909
    • SR-01000944230
    • Q2273017
    • SR-01000944230-1
    • 4-(2-Hydroxypropan-2-yl)-1-methylcyclohexan-1-ol--water (1/1)
    • Terpin hydrate, United States Pharmacopeia (USP) Reference Standard
    • CIS-4-HYDROXY-ALPHA,ALPHA,4-TRIMETHYLCYCLOHEXANEMETHANOL MONOHYDRATE

  • Applications

    Terpin hydrate (CAS 2451-01-6) is used in fragrance and flavor applications as an odorant component and, where applicable, as a fragrance fixative; it may serve as an intermediate in the synthesis of other terpenoid compounds in industrial manufacturing; in cosmetics and personal care it is employed as a fragrance ingredient; in household products it functions as a scent additive in cleaners and air fresheners; and it is sometimes evaluated for flavor/aroma formulations or for further derivatization within terpene chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 428.35
    methanol 667.74
    isopropanol 295.42
    water 14.88
    ethyl acetate 210.45
    n-propanol 289.94
    acetone 316.29
    n-butanol 248.72
    acetonitrile 255.53
    DMF 478.64
    toluene 64.74
    isobutanol 172.09
    1,4-dioxane 700.12
    methyl acetate 217.53
    THF 1063.37
    2-butanone 197.53
    n-pentanol 131.98
    sec-butanol 182.09
    n-hexane 27.39
    ethylene glycol 119.33
    NMP 411.98
    cyclohexane 51.6
    DMSO 331.62
    n-butyl acetate 155.29
    n-octanol 143.12
    chloroform 358.12
    n-propyl acetate 126.78
    acetic acid 343.47
    dichloromethane 290.31
    cyclohexanone 312.71
    propylene glycol 191.43
    isopropyl acetate 134.96
    DMAc 317.59
    2-ethoxyethanol 211.36
    isopentanol 160.4
    n-heptane 39.2
    ethyl formate 185.35
    1,2-dichloroethane 142.72
    n-hexanol 219.95
    2-methoxyethanol 464.55
    isobutyl acetate 95.79
    tetrachloromethane 73.32
    n-pentyl acetate 126.54
    transcutol 676.39
    n-heptanol 133.74
    ethylbenzene 40.29
    MIBK 103.65
    2-propoxyethanol 387.66
    tert-butanol 290.95
    MTBE 169.57
    2-butoxyethanol 235.1
    propionic acid 247.92
    o-xylene 56.26
    formic acid 205.08
    diethyl ether 213.48
    m-xylene 55.35
    p-xylene 64.69
    chlorobenzene 97.67
    dimethyl carbonate 101.38
    n-octane 16.2
    formamide 280.72
    cyclopentanone 435.68
    2-pentanone 160.0
    anisole 116.06
    cyclopentyl methyl ether 265.57
    gamma-butyrolactone 564.58
    1-methoxy-2-propanol 334.42
    pyridine 219.65
    3-pentanone 124.24
    furfural 382.92
    n-dodecane 13.26
    diethylene glycol 291.64
    diisopropyl ether 69.69
    tert-amyl alcohol 181.88
    acetylacetone 213.13
    n-hexadecane 14.54
    acetophenone 104.46
    methyl propionate 177.63
    isopentyl acetate 138.6
    trichloroethylene 237.49
    n-nonanol 125.14
    cyclohexanol 183.21
    benzyl alcohol 92.45
    2-ethylhexanol 116.45
    isooctanol 94.33
    dipropyl ether 166.91
    1,2-dichlorobenzene 90.52
    ethyl lactate 93.12
    propylene carbonate 309.71
    n-methylformamide 302.53
    2-pentanol 134.5
    n-pentane 32.86
    1-propoxy-2-propanol 258.99
    1-methoxy-2-propyl acetate 204.34
    2-(2-methoxypropoxy) propanol 196.63
    mesitylene 43.18
    ε-caprolactone 293.94
    p-cymene 49.09
    epichlorohydrin 393.14
    1,1,1-trichloroethane 144.77
    2-aminoethanol 249.22
    morpholine-4-carbaldehyde 512.23
    sulfolane 429.43
    2,2,4-trimethylpentane 16.15
    2-methyltetrahydrofuran 424.68
    n-hexyl acetate 195.3
    isooctane 13.12
    2-(2-butoxyethoxy)ethanol 301.07
    sec-butyl acetate 86.47
    tert-butyl acetate 148.87
    decalin 20.81
    glycerin 238.26
    diglyme 502.12
    acrylic acid 207.76
    isopropyl myristate 82.09
    n-butyric acid 277.68
    acetyl acetate 166.42
    di(2-ethylhexyl) phthalate 81.85
    ethyl propionate 117.6
    nitromethane 451.59
    1,2-diethoxyethane 221.92
    benzonitrile 127.73
    trioctyl phosphate 69.6
    1-bromopropane 99.5
    gamma-valerolactone 604.06
    n-decanol 90.13
    triethyl phosphate 78.09
    4-methyl-2-pentanol 85.01
    propionitrile 196.13
    vinylene carbonate 261.62
    1,1,2-trichlorotrifluoroethane 284.9
    DMS 130.81
    cumene 36.25
    2-octanol 88.43
    2-hexanone 115.0
    octyl acetate 109.86
    limonene 71.24
    1,2-dimethoxyethane 375.74
    ethyl orthosilicate 79.52
    tributyl phosphate 81.84
    diacetone alcohol 174.56
    N,N-dimethylaniline 80.74
    acrylonitrile 203.15
    aniline 124.16
    1,3-propanediol 288.7
    bromobenzene 80.74
    dibromomethane 173.55
    1,1,2,2-tetrachloroethane 214.21
    2-methyl-cyclohexyl acetate 120.31
    tetrabutyl urea 98.65
    diisobutyl methanol 73.8
    2-phenylethanol 118.54
    styrene 45.06
    dioctyl adipate 120.73
    dimethyl sulfate 135.91
    ethyl butyrate 127.08
    methyl lactate 139.92
    butyl lactate 124.67
    diethyl carbonate 96.61
    propanediol butyl ether 219.25
    triethyl orthoformate 123.28
    p-tert-butyltoluene 52.95
    methyl 4-tert-butylbenzoate 142.37
    morpholine 662.19
    tert-butylamine 204.33
    n-dodecanol 66.04
    dimethoxymethane 330.53
    ethylene carbonate 240.7
    cyrene 174.35
    2-ethoxyethyl acetate 167.6
    2-ethylhexyl acetate 114.67
    1,2,4-trichlorobenzene 117.68
    4-methylpyridine 191.11
    dibutyl ether 133.87
    2,6-dimethyl-4-heptanol 73.8
    DEF 179.13
    dimethyl isosorbide 349.12
    tetrachloroethylene 151.81
    eugenol 136.22
    triacetin 183.37
    span 80 203.12
    1,4-butanediol 99.3
    1,1-dichloroethane 157.65
    2-methyl-1-pentanol 89.15
    methyl formate 242.62
    2-methyl-1-butanol 135.64
    n-decane 24.11
    butyronitrile 205.12
    3,7-dimethyl-1-octanol 105.53
    1-chlorooctane 68.55
    1-chlorotetradecane 28.25
    n-nonane 22.65
    undecane 17.15
    tert-butylcyclohexane 21.62
    cyclooctane 19.75
    cyclopentanol 251.91
    tetrahydropyran 465.22
    tert-amyl methyl ether 115.06
    2,5,8-trioxanonane 341.0
    1-hexene 62.62
    2-isopropoxyethanol 143.34
    2,2,2-trifluoroethanol 153.81
    methyl butyrate 144.19

    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