Sobrerol

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  • Identifiers

    CAS number
    498-71-5

    Molecular formula
    C10H18O2

    SMILES
    CC1=CCC(CC1O)C(C)(C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Mint 64.28%
    Herbal 63.64%
    Sweet 59.0%
    Camphoreous 55.3%
    Woody 52.16%
    Cooling 47.78%
    Earthy 39.33%
    Pine 39.17%
    Musty 35.5%
    Fresh 33.33%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    276°C

    Flash point est.
    122.29 ˚C

  • Synonyms

    • Sobrerol
    • 498-71-5
    • 5-(2-Hydroxypropan-2-yl)-2-methylcyclohex-2-enol
    • Soberol
    • Pinol hydrate
    • Cyclidrol
    • Sobrepin
    • 6,8-Carvomenthendiol
    • CCRIS 7135
    • 5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
    • EINECS 207-868-1
    • Mucoflux (TN)
    • AI3-23138
    • trans-Sobrerol
    • 5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol
    • 3-Cyclohexene-1-methanol, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-
    • 3-Cyclohexene-1-methanol, 5-hydroxy-alpha,alpha,4-trimethyl-, (+/-)
    • 1-methyl-4-(2-hydroxyisopropyl)cyclohex-1,2-en-6-ol
    • pinolhydrat
    • (+/-)-1-Hydroxyisodihydrocarveol
    • 6,8-Carvomenthenediol; NSC 408849; Pinol hydrate; Sobrepin
    • SOBREROL [MI]
    • SOBREROL [WHO-DD]
    • 42370-41-2
    • Mucoflux
    • d,l-trans-Sobrerol; dl-Sobrerol; trans-6-Hydroxy-alpha-terpineol
    • EINECS 255-780-7
    • Sobrepin (TN)
    • 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1alpha,2alpha,4beta)- (9CI); 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, (1alpha,2alpha,4beta)-(+/-)-
    • (1S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
    • 1-methyl-alpha-hydroxyisopropylcyclohexenol-6
    • NCIOpen2_000885
    • Oprea1_276529
    • (1S,5S)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
    • SCHEMBL1649171
    • CHEMBL2228862
    • DTXSID90871701
    • CHEBI:134802
    • NSC43652
    • NSC74541
    • MFCD00009965
    • NSC-43652
    • NSC-74541
    • NSC408849
    • AKOS006230491
    • p-Menth-6-ene-2,8-diol, ( )-
    • NSC-408849
    • DB-050902
    • DB-332535
    • NS00080460
    • D08520
    • G68082
    • 6,8-Carvomenthenedioll-p-methene-6,8-diolpinol hydrate
    • 3-Cyclohexene-1-methanol, 5-hydroxy-alpha,alpha,4-trimethyl-
    • 5-Hydroxy-.alpha.,.alpha.,4-trimethyl-3-cyclohexene-1-methanol
    • 3-Cyclohexene-1-methanol, 5-hydroxy-.alpha.,.alpha.,4-trimethyl-, trans-( )-

  • Applications

    Sobrerol (CAS 498-71-5) is a monoterpene diol with mucolytic and mucoactive properties, applied as an adjuvant therapy in acute and chronic respiratory conditions characterized by mucus hypersecretion (e.g., bronchitis, COPD exacerbations, rhinosinusitis), where it lowers sputum viscosity, enhances mucociliary clearance, and facilitates expectoration; it has been formulated for oral, inhaled, and certain topical routes, and has also been investigated for potential anti-inflammatory activity, disruption of microbial biofilms, and promotion of ciliary function; beyond therapeutic use, sobrerol serves as an analytical reference standard, a chemical intermediate in terpenoid research/synthesis, and a model compound for testing aerosol performance and drug-delivery devices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 369.88
    methanol 439.68
    isopropanol 311.07
    water 14.15
    ethyl acetate 102.48
    n-propanol 246.37
    acetone 122.74
    n-butanol 228.59
    acetonitrile 139.55
    DMF 215.75
    toluene 55.17
    isobutanol 155.46
    1,4-dioxane 390.44
    methyl acetate 106.18
    THF 380.87
    2-butanone 113.2
    n-pentanol 119.83
    sec-butanol 178.74
    n-hexane 7.44
    ethylene glycol 119.77
    NMP 98.25
    cyclohexane 16.45
    DMSO 164.51
    n-butyl acetate 70.35
    n-octanol 92.67
    chloroform 187.02
    n-propyl acetate 46.06
    acetic acid 132.82
    dichloromethane 122.51
    cyclohexanone 113.99
    propylene glycol 171.38
    isopropyl acetate 63.34
    DMAc 179.44
    2-ethoxyethanol 184.96
    isopentanol 162.4
    n-heptane 13.07
    ethyl formate 78.81
    1,2-dichloroethane 58.98
    n-hexanol 187.58
    2-methoxyethanol 392.68
    isobutyl acetate 38.66
    tetrachloromethane 39.63
    n-pentyl acetate 50.02
    transcutol 348.79
    n-heptanol 98.34
    ethylbenzene 33.22
    MIBK 63.68
    2-propoxyethanol 268.24
    tert-butanol 317.95
    MTBE 117.3
    2-butoxyethanol 150.3
    propionic acid 111.81
    o-xylene 44.42
    formic acid 113.16
    diethyl ether 107.91
    m-xylene 46.54
    p-xylene 45.48
    chlorobenzene 48.82
    dimethyl carbonate 40.94
    n-octane 7.12
    formamide 138.38
    cyclopentanone 128.72
    2-pentanone 86.31
    anisole 81.39
    cyclopentyl methyl ether 103.15
    gamma-butyrolactone 130.55
    1-methoxy-2-propanol 296.84
    pyridine 126.0
    3-pentanone 58.97
    furfural 134.3
    n-dodecane 6.9
    diethylene glycol 230.48
    diisopropyl ether 34.51
    tert-amyl alcohol 171.73
    acetylacetone 87.11
    n-hexadecane 7.41
    acetophenone 62.64
    methyl propionate 79.25
    isopentyl acetate 66.86
    trichloroethylene 108.25
    n-nonanol 81.17
    cyclohexanol 121.88
    benzyl alcohol 80.35
    2-ethylhexanol 83.33
    isooctanol 70.65
    dipropyl ether 69.55
    1,2-dichlorobenzene 44.11
    ethyl lactate 45.66
    propylene carbonate 79.47
    n-methylformamide 136.52
    2-pentanol 127.86
    n-pentane 11.36
    1-propoxy-2-propanol 176.77
    1-methoxy-2-propyl acetate 96.86
    2-(2-methoxypropoxy) propanol 121.16
    mesitylene 32.0
    ε-caprolactone 107.61
    p-cymene 31.99
    epichlorohydrin 142.86
    1,1,1-trichloroethane 72.91
    2-aminoethanol 224.86
    morpholine-4-carbaldehyde 221.5
    sulfolane 113.18
    2,2,4-trimethylpentane 8.33
    2-methyltetrahydrofuran 168.25
    n-hexyl acetate 81.35
    isooctane 7.93
    2-(2-butoxyethoxy)ethanol 170.48
    sec-butyl acetate 39.63
    tert-butyl acetate 74.06
    decalin 10.28
    glycerin 206.17
    diglyme 254.74
    acrylic acid 87.76
    isopropyl myristate 38.32
    n-butyric acid 140.6
    acetyl acetate 63.03
    di(2-ethylhexyl) phthalate 43.25
    ethyl propionate 48.46
    nitromethane 151.51
    1,2-diethoxyethane 102.13
    benzonitrile 73.81
    trioctyl phosphate 34.2
    1-bromopropane 53.9
    gamma-valerolactone 205.49
    n-decanol 60.42
    triethyl phosphate 36.29
    4-methyl-2-pentanol 82.39
    propionitrile 116.2
    vinylene carbonate 82.2
    1,1,2-trichlorotrifluoroethane 131.75
    DMS 48.15
    cumene 29.2
    2-octanol 58.8
    2-hexanone 57.72
    octyl acetate 50.57
    limonene 42.75
    1,2-dimethoxyethane 236.78
    ethyl orthosilicate 38.36
    tributyl phosphate 34.65
    diacetone alcohol 120.46
    N,N-dimethylaniline 60.25
    acrylonitrile 111.32
    aniline 96.54
    1,3-propanediol 275.71
    bromobenzene 41.6
    dibromomethane 81.63
    1,1,2,2-tetrachloroethane 101.58
    2-methyl-cyclohexyl acetate 56.67
    tetrabutyl urea 44.49
    diisobutyl methanol 52.62
    2-phenylethanol 94.01
    styrene 35.35
    dioctyl adipate 48.4
    dimethyl sulfate 50.4
    ethyl butyrate 55.04
    methyl lactate 76.25
    butyl lactate 55.01
    diethyl carbonate 38.6
    propanediol butyl ether 139.1
    triethyl orthoformate 47.94
    p-tert-butyltoluene 34.13
    methyl 4-tert-butylbenzoate 75.63
    morpholine 384.33
    tert-butylamine 184.91
    n-dodecanol 46.07
    dimethoxymethane 163.58
    ethylene carbonate 72.19
    cyrene 94.02
    2-ethoxyethyl acetate 73.85
    2-ethylhexyl acetate 51.98
    1,2,4-trichlorobenzene 53.55
    4-methylpyridine 115.54
    dibutyl ether 55.38
    2,6-dimethyl-4-heptanol 52.62
    DEF 87.44
    dimethyl isosorbide 147.94
    tetrachloroethylene 70.94
    eugenol 81.92
    triacetin 69.25
    span 80 109.19
    1,4-butanediol 94.98
    1,1-dichloroethane 80.52
    2-methyl-1-pentanol 90.62
    methyl formate 90.8
    2-methyl-1-butanol 129.53
    n-decane 11.39
    butyronitrile 127.36
    3,7-dimethyl-1-octanol 76.59
    1-chlorooctane 35.56
    1-chlorotetradecane 15.72
    n-nonane 10.13
    undecane 8.51
    tert-butylcyclohexane 10.78
    cyclooctane 7.49
    cyclopentanol 129.69
    tetrahydropyran 212.28
    tert-amyl methyl ether 75.65
    2,5,8-trioxanonane 189.6
    1-hexene 27.82
    2-isopropoxyethanol 120.61
    2,2,2-trifluoroethanol 62.74
    methyl butyrate 56.94

    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
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Clary sage (Italy) 2a inflorescense 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.1%