(1R,4E,7E)-3,3,7-Trimethyl-11-methylene-4,7-cycloundecadien-1-ol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    19888-01-8

    Molecular formula
    C15H24O

    SMILES
    C/C/1=C\CCC(=C)[C@@H](CC(/C=C/C1)(C)C)O

    Retention indicies (RI)

    • DB5: 1655.0
    • Carbowax: 2265.0

  • Odor profile

    Herbal 72.29%
    Mint 55.49%
    Woody 54.18%
    Spicy 49.61%
    Floral 44.2%
    Camphoreous 41.19%
    Citrus 41.13%
    Fresh 36.98%
    Earthy 35.94%
    Natural 33.45%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point est.
    129.79 ˚C

  • Synonyms

    • NMGJCQNNUTYSJJ-CELRUTASSA-N
    • DTXSID101171166
    • (1R,4E,7E)-3,3,7-Trimethyl-11-methylene-4,7-cycloundecadien-1-ol
    • 19888-01-8

  • Applications

    A chiral sesquiterpenoid alcohol, (1R,4E,7E)-3,3,7-trimethyl-11-methylene-4,7-cycloundecadien-1-ol (CAS 19888-01-8) is primarily utilized in fragrances and personal care as a substantive, fixative-like base-note ingredient adding depth and warmth to woody, herbal, or resinous accords in fine fragrances, soaps, detergents, and air-care products; in R&D it serves as a stereodefined building block for derivatization (esterification, oxidation to ketones, hydrogenation) to access new odorants, as a substrate for enantioselective catalysis/biotransformation studies, and for process optimization; in analytics it is used as a reference standard and retention-index anchor in GC–MS for essential-oil profiling and batch monitoring, as well as a traceability marker for raw-material authentication; in materials/formulation science it is evaluated in microencapsulation and controlled-release carriers to prolong scent longevity in polymer, surfactant, and powder matrices; it is also screened in vitro as a representative terpenoid for antimicrobial, insect-repellent, or chemical-ecology roles, with deployment contingent on safety assessment, IFRA/REACH compliance, and local regulations, and users should consult the SDS and purity specifications before scale-up.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 330.38
    methanol 190.51
    isopropanol 352.97
    water 0.15
    ethyl acetate 256.46
    n-propanol 314.04
    acetone 206.07
    n-butanol 361.2
    acetonitrile 129.58
    DMF 203.21
    toluene 239.11
    isobutanol 254.65
    1,4-dioxane 498.77
    methyl acetate 199.67
    THF 839.6
    2-butanone 295.41
    n-pentanol 231.57
    sec-butanol 342.24
    n-hexane 69.16
    ethylene glycol 21.33
    NMP 167.05
    cyclohexane 101.95
    DMSO 200.61
    n-butyl acetate 326.88
    n-octanol 201.21
    chloroform 521.4
    n-propyl acetate 180.74
    acetic acid 103.33
    dichloromethane 348.48
    cyclohexanone 315.97
    propylene glycol 87.23
    isopropyl acetate 184.08
    DMAc 222.09
    2-ethoxyethanol 199.73
    isopentanol 323.54
    n-heptane 87.84
    ethyl formate 129.97
    1,2-dichloroethane 203.15
    n-hexanol 418.92
    2-methoxyethanol 307.97
    isobutyl acetate 156.12
    tetrachloromethane 77.38
    n-pentyl acetate 178.95
    transcutol 884.13
    n-heptanol 200.67
    ethylbenzene 150.64
    MIBK 201.77
    2-propoxyethanol 382.88
    tert-butanol 444.0
    MTBE 365.42
    2-butoxyethanol 261.21
    propionic acid 108.98
    o-xylene 137.18
    formic acid 21.1
    diethyl ether 342.64
    m-xylene 185.56
    p-xylene 164.33
    chlorobenzene 174.19
    dimethyl carbonate 58.09
    n-octane 30.11
    formamide 38.53
    cyclopentanone 310.42
    2-pentanone 257.0
    anisole 214.25
    cyclopentyl methyl ether 325.03
    gamma-butyrolactone 241.29
    1-methoxy-2-propanol 334.8
    pyridine 311.13
    3-pentanone 171.67
    furfural 216.45
    n-dodecane 22.12
    diethylene glycol 171.83
    diisopropyl ether 122.9
    tert-amyl alcohol 362.71
    acetylacetone 182.21
    n-hexadecane 24.87
    acetophenone 165.82
    methyl propionate 166.02
    isopentyl acetate 301.69
    trichloroethylene 371.66
    n-nonanol 175.27
    cyclohexanol 260.4
    benzyl alcohol 157.41
    2-ethylhexanol 263.61
    isooctanol 170.17
    dipropyl ether 326.62
    1,2-dichlorobenzene 146.41
    ethyl lactate 95.36
    propylene carbonate 183.23
    n-methylformamide 78.98
    2-pentanol 286.86
    n-pentane 75.11
    1-propoxy-2-propanol 388.73
    1-methoxy-2-propyl acetate 275.38
    2-(2-methoxypropoxy) propanol 264.22
    mesitylene 122.96
    ε-caprolactone 254.71
    p-cymene 130.46
    epichlorohydrin 355.79
    1,1,1-trichloroethane 236.7
    2-aminoethanol 83.24
    morpholine-4-carbaldehyde 246.37
    sulfolane 223.78
    2,2,4-trimethylpentane 40.65
    2-methyltetrahydrofuran 533.86
    n-hexyl acetate 272.77
    isooctane 43.29
    2-(2-butoxyethoxy)ethanol 354.03
    sec-butyl acetate 160.57
    tert-butyl acetate 216.28
    decalin 50.74
    glycerin 88.18
    diglyme 485.36
    acrylic acid 63.38
    isopropyl myristate 131.05
    n-butyric acid 230.08
    acetyl acetate 115.02
    di(2-ethylhexyl) phthalate 124.76
    ethyl propionate 157.51
    nitromethane 124.6
    1,2-diethoxyethane 342.96
    benzonitrile 177.78
    trioctyl phosphate 93.78
    1-bromopropane 244.69
    gamma-valerolactone 349.06
    n-decanol 137.3
    triethyl phosphate 97.27
    4-methyl-2-pentanol 201.57
    propionitrile 188.92
    vinylene carbonate 142.54
    1,1,2-trichlorotrifluoroethane 174.07
    DMS 126.86
    cumene 113.89
    2-octanol 143.62
    2-hexanone 204.9
    octyl acetate 153.0
    limonene 175.38
    1,2-dimethoxyethane 366.27
    ethyl orthosilicate 107.76
    tributyl phosphate 103.6
    diacetone alcohol 254.01
    N,N-dimethylaniline 157.34
    acrylonitrile 141.69
    aniline 197.97
    1,3-propanediol 171.83
    bromobenzene 196.64
    dibromomethane 299.79
    1,1,2,2-tetrachloroethane 331.22
    2-methyl-cyclohexyl acetate 197.19
    tetrabutyl urea 127.96
    diisobutyl methanol 173.74
    2-phenylethanol 214.35
    styrene 156.9
    dioctyl adipate 157.85
    dimethyl sulfate 68.1
    ethyl butyrate 223.0
    methyl lactate 85.31
    butyl lactate 158.01
    diethyl carbonate 127.28
    propanediol butyl ether 265.09
    triethyl orthoformate 165.11
    p-tert-butyltoluene 134.82
    methyl 4-tert-butylbenzoate 202.52
    morpholine 560.96
    tert-butylamine 330.88
    n-dodecanol 112.73
    dimethoxymethane 226.35
    ethylene carbonate 130.92
    cyrene 174.08
    2-ethoxyethyl acetate 210.62
    2-ethylhexyl acetate 242.22
    1,2,4-trichlorobenzene 169.89
    4-methylpyridine 312.75
    dibutyl ether 212.05
    2,6-dimethyl-4-heptanol 173.74
    DEF 195.11
    dimethyl isosorbide 381.33
    tetrachloroethylene 177.03
    eugenol 185.7
    triacetin 197.25
    span 80 265.18
    1,4-butanediol 62.51
    1,1-dichloroethane 262.19
    2-methyl-1-pentanol 225.51
    methyl formate 59.52
    2-methyl-1-butanol 275.97
    n-decane 40.04
    butyronitrile 277.48
    3,7-dimethyl-1-octanol 225.2
    1-chlorooctane 126.43
    1-chlorotetradecane 54.16
    n-nonane 39.18
    undecane 28.59
    tert-butylcyclohexane 54.45
    cyclooctane 43.07
    cyclopentanol 216.26
    tetrahydropyran 598.67
    tert-amyl methyl ether 254.86
    2,5,8-trioxanonane 346.5
    1-hexene 205.81
    2-isopropoxyethanol 183.8
    2,2,2-trifluoroethanol 25.53
    methyl butyrate 189.31

    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
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.01%
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.09%
Laurel flower (France) Laurus nobilis L., fam. Lauraceae 2.3%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 1.4%