T-Muurolol

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  • Identifiers

    CAS number
    19912-62-0

    Molecular formula
    C15H26O

    SMILES
    CC1=C[C@H]2[C@@H](CC[C@]([C@H]2CC1)(C)O)C(C)C

  • Odor profile

    Herbal 75.68%
    Woody 67.43%
    Spicy 62.37%
    Earthy 48.65%
    Floral 47.26%
    Mint 45.86%
    Fresh 44.79%
    Balsamic 42.72%
    Green 41.0%
    Pine 39.53%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point est.
    115.03 ˚C

  • Synonyms

    • T-Muurolol
    • 19912-62-0
    • (1S,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
    • 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-(1alpha,4alpha,4aalpha,8aalpha))-
    • .tau.-Muurolol
    • Muurolol T
    • T-MuuroloI
    • alpha-epi-muurolol
    • epi-alpha-Muurolol
    • (-)-tau-muurolol
    • (-)-T-Muurolol
    • .alpha.-epi-Muurolol
    • epi-.alpha.-Muurolol
    • 10-epi-alpha-muurolol
    • SCHEMBL5653479
    • CHEMBL2228956
    • DTXSID10173698
    • CHEBI:132906
    • LHYHMMRYTDARSZ-AJNGGQMLSA-N
    • HY-N12787
    • CS-1050898
    • NS00123144
    • G89207
    • Q63409422
    • (1S,4S,4aR,8aS)-4-isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
    • 4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenol-, [1S-(1.alpha.,4.alpha.,4a.alpha.,8a.alpha.)]-

  • Applications

    T-Muurolol (CAS 19912-62-0) is used primarily as an analytical reference in GC/GC-MS for identification, quantitation, and essential-oil fingerprinting to support quality control, botanical authentication, and adulteration screening; in aroma and fragrance research it is evaluated as a woody, earthy, balsamic odorant for reconstructing natural oil profiles and building base notes in experimental perfumery; in biological and biochemical studies the compound serves as a model substrate to probe sesquiterpene biosynthesis, terpene synthase/cytochrome P450 selectivity, and to develop chromatographic methods (including chiral separations); additionally, T-Muurolol is explored at a research level in vitro for antimicrobial, antioxidant, or anti-inflammatory potential, in delivery systems (e.g., nanoemulsions or cyclodextrin encapsulation) to modulate stability and release, and occasionally as a biogenic emission/volatilome marker in atmospheric and plant metabolomics studies.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 214.6
    methanol 146.5
    isopropanol 230.06
    water 0.25
    ethyl acetate 245.91
    n-propanol 215.02
    acetone 273.65
    n-butanol 237.29
    acetonitrile 179.65
    DMF 219.78
    toluene 353.18
    isobutanol 170.63
    1,4-dioxane 754.45
    methyl acetate 208.47
    THF 1170.93
    2-butanone 291.97
    n-pentanol 122.19
    sec-butanol 164.66
    n-hexane 46.48
    ethylene glycol 13.19
    NMP 195.18
    cyclohexane 135.88
    DMSO 163.64
    n-butyl acetate 349.53
    n-octanol 152.97
    chloroform 700.13
    n-propyl acetate 153.19
    acetic acid 88.42
    dichloromethane 502.0
    cyclohexanone 455.56
    propylene glycol 35.09
    isopropyl acetate 193.25
    DMAc 190.88
    2-ethoxyethanol 121.86
    isopentanol 205.92
    n-heptane 77.96
    ethyl formate 132.27
    1,2-dichloroethane 260.56
    n-hexanol 306.66
    2-methoxyethanol 215.6
    isobutyl acetate 141.56
    tetrachloromethane 114.2
    n-pentyl acetate 199.56
    transcutol 671.49
    n-heptanol 149.01
    ethylbenzene 142.11
    MIBK 180.23
    2-propoxyethanol 320.25
    tert-butanol 261.56
    MTBE 319.77
    2-butoxyethanol 195.23
    propionic acid 89.33
    o-xylene 169.19
    formic acid 16.22
    diethyl ether 330.23
    m-xylene 213.27
    p-xylene 181.77
    chlorobenzene 258.88
    dimethyl carbonate 64.61
    n-octane 28.05
    formamide 32.86
    cyclopentanone 473.23
    2-pentanone 252.81
    anisole 211.96
    cyclopentyl methyl ether 368.86
    gamma-butyrolactone 374.92
    1-methoxy-2-propanol 223.22
    pyridine 444.67
    3-pentanone 172.92
    furfural 272.36
    n-dodecane 22.79
    diethylene glycol 139.96
    diisopropyl ether 121.0
    tert-amyl alcohol 163.84
    acetylacetone 234.84
    n-hexadecane 27.19
    acetophenone 171.42
    methyl propionate 160.2
    isopentyl acetate 320.52
    trichloroethylene 476.07
    n-nonanol 140.63
    cyclohexanol 227.76
    benzyl alcohol 141.75
    2-ethylhexanol 193.82
    isooctanol 122.71
    dipropyl ether 287.61
    1,2-dichlorobenzene 193.58
    ethyl lactate 62.93
    propylene carbonate 207.07
    n-methylformamide 84.96
    2-pentanol 150.8
    n-pentane 58.79
    1-propoxy-2-propanol 280.64
    1-methoxy-2-propyl acetate 280.37
    2-(2-methoxypropoxy) propanol 209.65
    mesitylene 135.24
    ε-caprolactone 330.4
    p-cymene 142.36
    epichlorohydrin 442.16
    1,1,1-trichloroethane 311.91
    2-aminoethanol 45.74
    morpholine-4-carbaldehyde 296.53
    sulfolane 268.56
    2,2,4-trimethylpentane 29.57
    2-methyltetrahydrofuran 646.3
    n-hexyl acetate 282.6
    isooctane 31.26
    2-(2-butoxyethoxy)ethanol 277.23
    sec-butyl acetate 125.82
    tert-butyl acetate 217.8
    decalin 49.27
    glycerin 45.17
    diglyme 451.78
    acrylic acid 59.52
    isopropyl myristate 133.14
    n-butyric acid 204.09
    acetyl acetate 151.67
    di(2-ethylhexyl) phthalate 123.65
    ethyl propionate 127.02
    nitromethane 151.28
    1,2-diethoxyethane 347.24
    benzonitrile 227.06
    trioctyl phosphate 93.44
    1-bromopropane 274.25
    gamma-valerolactone 507.61
    n-decanol 107.36
    triethyl phosphate 92.23
    4-methyl-2-pentanol 110.41
    propionitrile 205.95
    vinylene carbonate 197.13
    1,1,2-trichlorotrifluoroethane 168.04
    DMS 154.38
    cumene 101.09
    2-octanol 106.8
    2-hexanone 167.71
    octyl acetate 157.63
    limonene 186.56
    1,2-dimethoxyethane 323.17
    ethyl orthosilicate 97.25
    tributyl phosphate 100.11
    diacetone alcohol 181.74
    N,N-dimethylaniline 140.58
    acrylonitrile 166.48
    aniline 231.68
    1,3-propanediol 107.25
    bromobenzene 298.28
    dibromomethane 370.67
    1,1,2,2-tetrachloroethane 352.88
    2-methyl-cyclohexyl acetate 198.65
    tetrabutyl urea 128.6
    diisobutyl methanol 123.55
    2-phenylethanol 216.13
    styrene 161.81
    dioctyl adipate 155.83
    dimethyl sulfate 74.05
    ethyl butyrate 208.32
    methyl lactate 64.44
    butyl lactate 139.57
    diethyl carbonate 123.2
    propanediol butyl ether 167.8
    triethyl orthoformate 157.1
    p-tert-butyltoluene 148.26
    methyl 4-tert-butylbenzoate 188.14
    morpholine 670.97
    tert-butylamine 212.48
    n-dodecanol 84.83
    dimethoxymethane 258.57
    ethylene carbonate 176.2
    cyrene 152.0
    2-ethoxyethyl acetate 239.73
    2-ethylhexyl acetate 265.52
    1,2,4-trichlorobenzene 224.36
    4-methylpyridine 429.97
    dibutyl ether 210.67
    2,6-dimethyl-4-heptanol 123.55
    DEF 185.98
    dimethyl isosorbide 356.31
    tetrachloroethylene 214.15
    eugenol 162.38
    triacetin 206.08
    span 80 214.91
    1,4-butanediol 32.63
    1,1-dichloroethane 310.96
    2-methyl-1-pentanol 124.23
    methyl formate 70.09
    2-methyl-1-butanol 167.43
    n-decane 40.85
    butyronitrile 273.2
    3,7-dimethyl-1-octanol 164.05
    1-chlorooctane 115.91
    1-chlorotetradecane 53.2
    n-nonane 38.66
    undecane 29.65
    tert-butylcyclohexane 45.62
    cyclooctane 52.16
    cyclopentanol 216.15
    tetrahydropyran 835.92
    tert-amyl methyl ether 178.33
    2,5,8-trioxanonane 322.33
    1-hexene 135.15
    2-isopropoxyethanol 111.06
    2,2,2-trifluoroethanol 28.35
    methyl butyrate 152.26

    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
Citronella java (China) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.82%
Citronella java (Argentina) 2 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.55%
Citronella java (S. America) 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.74%
Citronella java 3 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.53%
Citronella ceylon 5 8000-29-1 Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 0.33%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Teucrium haenseleri flower Teucrium haenseleri Boiss., fam. Lamiaceae (Labiatae) 0.4%
Croton zambesicus (Cameroon) 1b root bark Croton zambesicus Muell. Arg., fam. Euphorbiaceae 2.2%
Croton zambesicus (Cameroon) 1c stem bark Croton zambesicus Muell. Arg., fam. Euphorbiaceae 1.1%
Manuka (New Zealand) Leptospermum scoparium 6.81%