CID 14038847

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    28305-60-4

    Molecular formula
    C15H24O

    SMILES
    CC(C)[C@@H]1CCC(=C)[C@H]2[C@H]1[C@H](CC2)C(=O)C

    Retention indicies (RI)

    • DB5: 1603.83
    • Carbowax: 2030.0

  • Odor profile

    Woody 81.35%
    Herbal 63.28%
    Green 61.52%
    Spicy 46.02%
    Fresh 45.83%
    Mint 43.85%
    Floral 41.55%
    Camphoreous 37.18%
    Fruity 35.7%
    Pine 32.79%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    300°C

    Flash point est.
    122.16 ˚C

  • Synonyms

    • beta-Oplopenone
    • Q67879728

  • Applications

    CID 14038847 (CAS 28305-60-4) is primarily used as a research chemical and synthetic intermediate: a building block for pharmaceutical and agrochemical discovery, for reaction optimization and catalyst screening, as an external reference/standard in LC-MS/GC-MS and NMR for quantitation, identification, and impurity/isomer profiling, in basic toxicology, SAR/QSAR, and metabolism studies, for stability and formulation-compatibility assessments, and as a precursor or functionalization agent in materials science (e.g., to provide functional monomers/oligomers, enable surface attachment, or tune optical/electronic properties when functional groups permit); it is also encountered in quality control, analytical method development, and laboratory training.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1238.27
    methanol 1125.99
    isopropanol 1642.57
    water 0.99
    ethyl acetate 1058.29
    n-propanol 1151.24
    acetone 1483.25
    n-butanol 1145.71
    acetonitrile 1296.18
    DMF 1218.63
    toluene 1251.62
    isobutanol 940.61
    1,4-dioxane 2244.51
    methyl acetate 943.83
    THF 3577.61
    2-butanone 1209.34
    n-pentanol 398.37
    sec-butanol 829.68
    n-hexane 43.93
    ethylene glycol 101.84
    NMP 775.08
    cyclohexane 222.25
    DMSO 614.46
    n-butyl acetate 821.33
    n-octanol 232.46
    chloroform 3722.85
    n-propyl acetate 485.53
    acetic acid 572.79
    dichloromethane 2894.8
    cyclohexanone 1784.6
    propylene glycol 215.97
    isopropyl acetate 797.3
    DMAc 603.87
    2-ethoxyethanol 419.25
    isopentanol 881.5
    n-heptane 52.47
    ethyl formate 739.54
    1,2-dichloroethane 1351.61
    n-hexanol 688.87
    2-methoxyethanol 1087.74
    isobutyl acetate 357.55
    tetrachloromethane 478.01
    n-pentyl acetate 470.93
    transcutol 1565.42
    n-heptanol 249.97
    ethylbenzene 348.93
    MIBK 615.71
    2-propoxyethanol 933.33
    tert-butanol 1296.09
    MTBE 951.83
    2-butoxyethanol 439.25
    propionic acid 546.11
    o-xylene 488.68
    formic acid 126.95
    diethyl ether 984.85
    m-xylene 678.12
    p-xylene 449.3
    chlorobenzene 1085.18
    dimethyl carbonate 267.01
    n-octane 23.65
    formamide 229.84
    cyclopentanone 2001.45
    2-pentanone 1005.67
    anisole 563.18
    cyclopentyl methyl ether 1062.02
    gamma-butyrolactone 1762.72
    1-methoxy-2-propanol 947.61
    pyridine 1953.69
    3-pentanone 577.08
    furfural 1205.1
    n-dodecane 21.82
    diethylene glycol 518.74
    diisopropyl ether 276.35
    tert-amyl alcohol 607.45
    acetylacetone 953.89
    n-hexadecane 26.4
    acetophenone 470.38
    methyl propionate 638.95
    isopentyl acetate 768.57
    trichloroethylene 2399.43
    n-nonanol 204.37
    cyclohexanol 942.75
    benzyl alcohol 511.39
    2-ethylhexanol 315.1
    isooctanol 211.92
    dipropyl ether 397.69
    1,2-dichlorobenzene 741.04
    ethyl lactate 190.4
    propylene carbonate 962.91
    n-methylformamide 646.8
    2-pentanol 673.43
    n-pentane 87.47
    1-propoxy-2-propanol 657.09
    1-methoxy-2-propyl acetate 711.49
    2-(2-methoxypropoxy) propanol 375.09
    mesitylene 350.78
    ε-caprolactone 1251.62
    p-cymene 231.38
    epichlorohydrin 1953.63
    1,1,1-trichloroethane 1444.53
    2-aminoethanol 294.71
    morpholine-4-carbaldehyde 1008.07
    sulfolane 1019.68
    2,2,4-trimethylpentane 41.01
    2-methyltetrahydrofuran 1916.01
    n-hexyl acetate 598.16
    isooctane 42.25
    2-(2-butoxyethoxy)ethanol 554.39
    sec-butyl acetate 358.86
    tert-butyl acetate 662.81
    decalin 64.75
    glycerin 238.95
    diglyme 1013.24
    acrylic acid 381.9
    isopropyl myristate 216.68
    n-butyric acid 1058.12
    acetyl acetate 633.36
    di(2-ethylhexyl) phthalate 227.22
    ethyl propionate 386.97
    nitromethane 993.9
    1,2-diethoxyethane 690.09
    benzonitrile 923.25
    trioctyl phosphate 155.6
    1-bromopropane 972.83
    gamma-valerolactone 1942.76
    n-decanol 147.61
    triethyl phosphate 166.78
    4-methyl-2-pentanol 368.46
    propionitrile 1071.14
    vinylene carbonate 898.88
    1,1,2-trichlorotrifluoroethane 756.96
    DMS 416.51
    cumene 209.12
    2-octanol 181.98
    2-hexanone 456.1
    octyl acetate 266.3
    limonene 309.02
    1,2-dimethoxyethane 882.68
    ethyl orthosilicate 165.43
    tributyl phosphate 184.89
    diacetone alcohol 581.59
    N,N-dimethylaniline 315.18
    acrylonitrile 1055.35
    aniline 958.7
    1,3-propanediol 657.2
    bromobenzene 1203.7
    dibromomethane 1845.6
    1,1,2,2-tetrachloroethane 1644.42
    2-methyl-cyclohexyl acetate 341.03
    tetrabutyl urea 222.58
    diisobutyl methanol 218.07
    2-phenylethanol 580.49
    styrene 425.46
    dioctyl adipate 274.07
    dimethyl sulfate 276.89
    ethyl butyrate 464.91
    methyl lactate 269.74
    butyl lactate 312.41
    diethyl carbonate 291.6
    propanediol butyl ether 401.89
    triethyl orthoformate 297.36
    p-tert-butyltoluene 224.17
    methyl 4-tert-butylbenzoate 369.27
    morpholine 2254.1
    tert-butylamine 780.69
    n-dodecanol 113.89
    dimethoxymethane 976.58
    ethylene carbonate 819.86
    cyrene 321.92
    2-ethoxyethyl acetate 621.05
    2-ethylhexyl acetate 528.53
    1,2,4-trichlorobenzene 798.2
    4-methylpyridine 1918.29
    dibutyl ether 323.7
    2,6-dimethyl-4-heptanol 218.07
    DEF 681.18
    dimethyl isosorbide 687.44
    tetrachloroethylene 1007.71
    eugenol 349.09
    triacetin 412.34
    span 80 361.8
    1,4-butanediol 165.91
    1,1-dichloroethane 1816.4
    2-methyl-1-pentanol 353.4
    methyl formate 552.59
    2-methyl-1-butanol 676.64
    n-decane 37.26
    butyronitrile 1223.33
    3,7-dimethyl-1-octanol 273.86
    1-chlorooctane 178.56
    1-chlorotetradecane 70.6
    n-nonane 33.2
    undecane 27.35
    tert-butylcyclohexane 54.72
    cyclooctane 57.51
    cyclopentanol 986.83
    tetrahydropyran 2539.19
    tert-amyl methyl ether 426.42
    2,5,8-trioxanonane 589.92
    1-hexene 205.58
    2-isopropoxyethanol 333.5
    2,2,2-trifluoroethanol 212.7
    methyl butyrate 523.45

    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
Juniperus foetidissima leaf Juniperus foetidissima Willd., fam. Cupressaceae 0.5%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.7%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.5%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 0.3%
Aristolochia odoratissima Aristolochia odoratissima L., fam. Aristolochaceae 0.3%
Pinus mugo (Dwarf pine) 3 (Greece) 8000-26-8 Pinus mugo Turra, fam. Pinaceae 0.8%
Baccharis uncinella (Brazil) Baccharis uncinella DC., fam. Asteraceae (Compositae) 0.4%
Salvia desoleana (Italy) 1a CO2-extract Salvia desoleana, fam. Lamiaceae (Labiatae) 0.7%
Salvia desoleana (Italy) 1b hydrodistilled Salvia desoleana, fam. Lamiaceae (Labiatae) 1.6%
Pistacia lentiscus (Italy) 1b CO2-extract 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.39%
Satureja boliviana (Argentina) Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 0.2%