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

    Camphoreous 61.76%
    Mint 57.16%
    Herbal 51.87%
    Musty 44.67%
    Earthy 43.64%
    Woody 43.2%
    Pine 39.75%
    Cooling 37.86%
    Solvent 33.99%
    Sweet 33.27%

    Scent© AI

  • Properties

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    285°C

    Melting point expt.

    • 116 undefined

    Flash point est.
    108.05 ˚C

    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 best known as a traditional expectorant in cough remedies—once common in elixirs combined with codeine—but its clinical use has declined in many countries due to limited efficacy evidence and the availability of alternatives (e.g., guaifenesin), though it still appears in some compounded preparations and pharmacopeial references; beyond medicinal use, it serves as a feedstock/intermediate that can be dehydrated to α-terpineol and related fragrant monoterpenes for the fragrance, perfumery, and household-care industries, and it is employed in terpene-chemistry research and teaching (hydration/dehydration transformations, solubility and crystallization studies) as well as a convenient starting point for small-scale organic synthesis of aroma ingredients.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 425.7
    methanol 1037.33
    isopropanol 203.43
    water 202.58
    ethyl acetate 37.15
    n-propanol 242.91
    acetone 105.67
    n-butanol 178.43
    acetonitrile 80.02
    DMF 299.05
    toluene 5.39
    isobutanol 110.51
    1,4-dioxane 277.03
    methyl acetate 46.66
    THF 309.98
    2-butanone 47.85
    n-pentanol 87.11
    sec-butanol 98.17
    n-hexane 4.83
    ethylene glycol 267.24
    NMP 173.23
    cyclohexane 7.63
    DMSO 269.2
    n-butyl acetate 24.14
    n-octanol 41.33
    chloroform 45.74
    n-propyl acetate 29.86
    acetic acid 267.89
    dichloromethane 51.92
    cyclohexanone 66.41
    propylene glycol 252.32
    isopropyl acetate 19.76
    DMAc 174.33
    2-ethoxyethanol 219.24
    isopentanol 79.7
    n-heptane 5.61
    ethyl formate 75.84
    1,2-dichloroethane 28.36
    n-hexanol 75.7
    2-methoxyethanol 516.8
    isobutyl acetate 18.33
    tetrachloromethane 13.07
    n-pentyl acetate 24.42
    transcutol 260.88
    n-heptanol 54.1
    ethylbenzene 4.45
    MIBK 18.35
    2-propoxyethanol 207.04
    tert-butanol 140.0
    MTBE 37.81
    2-butoxyethanol 131.06
    propionic acid 131.63
    o-xylene 7.7
    formic acid 433.54
    diethyl ether 68.15
    m-xylene 6.47
    p-xylene 6.91
    chlorobenzene 8.01
    dimethyl carbonate 20.78
    n-octane 2.79
    formamide 522.17
    cyclopentanone 100.36
    2-pentanone 36.2
    anisole 20.12
    cyclopentyl methyl ether 60.16
    gamma-butyrolactone 142.59
    1-methoxy-2-propanol 245.73
    pyridine 47.67
    3-pentanone 24.26
    furfural 119.58
    n-dodecane 1.78
    diethylene glycol 241.24
    diisopropyl ether 11.14
    tert-amyl alcohol 75.02
    acetylacetone 34.18
    n-hexadecane 1.87
    acetophenone 21.63
    methyl propionate 41.82
    isopentyl acetate 21.25
    trichloroethylene 29.58
    n-nonanol 35.61
    cyclohexanol 66.22
    benzyl alcohol 34.27
    2-ethylhexanol 28.1
    isooctanol 33.39
    dipropyl ether 32.32
    1,2-dichlorobenzene 8.62
    ethyl lactate 37.85
    propylene carbonate 65.14
    n-methylformamide 287.98
    2-pentanol 61.07
    n-pentane 7.2
    1-propoxy-2-propanol 102.39
    1-methoxy-2-propyl acetate 41.15
    2-(2-methoxypropoxy) propanol 69.72
    mesitylene 5.14
    ε-caprolactone 68.46
    p-cymene 6.34
    epichlorohydrin 112.9
    1,1,1-trichloroethane 12.94
    2-aminoethanol 408.92
    morpholine-4-carbaldehyde 222.2
    sulfolane 135.18
    2,2,4-trimethylpentane 2.52
    2-methyltetrahydrofuran 101.13
    n-hexyl acetate 32.46
    isooctane 1.59
    2-(2-butoxyethoxy)ethanol 115.25
    sec-butyl acetate 14.94
    tert-butyl acetate 20.09
    decalin 2.41
    glycerin 367.28
    diglyme 190.95
    acrylic acid 117.62
    isopropyl myristate 11.99
    n-butyric acid 117.23
    acetyl acetate 21.55
    di(2-ethylhexyl) phthalate 19.36
    ethyl propionate 24.65
    nitromethane 238.24
    1,2-diethoxyethane 58.34
    benzonitrile 21.23
    trioctyl phosphate 16.53
    1-bromopropane 15.88
    gamma-valerolactone 176.05
    n-decanol 23.95
    triethyl phosphate 17.52
    4-methyl-2-pentanol 26.16
    propionitrile 51.83
    vinylene carbonate 57.89
    1,1,2-trichlorotrifluoroethane 121.0
    DMS 22.72
    cumene 5.03
    2-octanol 25.35
    2-hexanone 27.14
    octyl acetate 18.6
    limonene 9.21
    1,2-dimethoxyethane 230.44
    ethyl orthosilicate 18.81
    tributyl phosphate 15.74
    diacetone alcohol 51.25
    N,N-dimethylaniline 18.14
    acrylonitrile 57.62
    aniline 26.92
    1,3-propanediol 367.92
    bromobenzene 4.69
    dibromomethane 26.69
    1,1,2,2-tetrachloroethane 34.72
    2-methyl-cyclohexyl acetate 23.97
    tetrabutyl urea 22.49
    diisobutyl methanol 14.82
    2-phenylethanol 35.02
    styrene 4.31
    dioctyl adipate 22.01
    dimethyl sulfate 34.13
    ethyl butyrate 21.65
    methyl lactate 63.18
    butyl lactate 37.2
    diethyl carbonate 15.6
    propanediol butyl ether 108.58
    triethyl orthoformate 24.0
    p-tert-butyltoluene 6.75
    methyl 4-tert-butylbenzoate 33.4
    morpholine 322.01
    tert-butylamine 70.13
    n-dodecanol 16.19
    dimethoxymethane 161.07
    ethylene carbonate 54.37
    cyrene 71.49
    2-ethoxyethyl acetate 40.49
    2-ethylhexyl acetate 16.99
    1,2,4-trichlorobenzene 12.27
    4-methylpyridine 32.76
    dibutyl ether 20.85
    2,6-dimethyl-4-heptanol 14.82
    DEF 58.59
    dimethyl isosorbide 93.31
    tetrachloroethylene 29.55
    eugenol 43.92
    triacetin 38.0
    span 80 63.74
    1,4-butanediol 134.05
    1,1-dichloroethane 17.22
    2-methyl-1-pentanol 43.26
    methyl formate 171.38
    2-methyl-1-butanol 72.92
    n-decane 3.44
    butyronitrile 56.1
    3,7-dimethyl-1-octanol 23.73
    1-chlorooctane 9.71
    1-chlorotetradecane 3.59
    n-nonane 3.33
    undecane 2.34
    tert-butylcyclohexane 2.34
    cyclooctane 3.08
    cyclopentanol 102.65
    tetrahydropyran 119.44
    tert-amyl methyl ether 27.06
    2,5,8-trioxanonane 126.35
    1-hexene 10.31
    2-isopropoxyethanol 99.83
    2,2,2-trifluoroethanol 113.21
    methyl butyrate 33.24

    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