Coniferan

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  • Identifiers

    CAS number
    67874-72-0

    Molecular formula
    C13H24O2

    SMILES
    CCC(C)(C)C1CCCCC1OC(=O)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 85.45%
    Fruity 61.79%
    Herbal 61.66%
    Floral 61.5%
    Sweet 55.7%
    Balsamic 51.87%
    Pine 46.34%
    Spicy 45.95%
    Fresh 45.59%
    Dry 38.59%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point est.
    105.63 ˚C

  • Synonyms

    • Coniferan
    • 2-tert-Pentylcyclohexyl acetate
    • 67874-72-0
    • conifer acetate
    • 2-(1,1-Dimethylpropyl)cyclohexyl acetate
    • [2-(2-methylbutan-2-yl)cyclohexyl] acetate
    • 2-tert-Amylcyclohexylacetate
    • Cyclohexanol, 2-tert-pentyl-, acetate
    • 2-(2-Methylbutan-2-yl)cyclohexyl acetate
    • CYCLOHEXANOL, 2-(1,1-DIMETHYLPROPYL)-, ACETATE
    • 4SMO7U026F
    • amylcyclohexyl acetate
    • DTXSID0044573
    • EINECS 267-500-0
    • NSC-21163
    • Cyclohexanol, 2-(1,1-dimethylpropyl)-, 1-acetate
    • DTXCID8024573
    • ISOPENTYL CYCLOHEXYL ACETATE
    • 2-TERT-AMYLCYCLOHEXYL ACETATE
    • NSC 21163
    • UNII-4SMO7U026F
    • SCHEMBL111723
    • 2-t-pentyl cyclohexanyl acetate
    • CHEMBL3186045
    • 2-tert.-pentylcyclohexyl acetate
    • 2-tert.-pentylcyclo-hexyl acetate
    • CHEBI:171794
    • NSC21163
    • Tox21_301888
    • Amylcyclohexyl acetate(mixed isomers)
    • AKOS024323721
    • NCGC00255824-01
    • ISOPENTYL CYCLOHEXYL ACETATE [INCI]
    • CAS-67874-72-0
    • 2-(TERT.-PENTYL)-CYCLOHEXYL ACETATE
    • NS00011965
    • Q27260437
    • 267-500-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1289.67
    methanol 1436.21
    isopropanol 1633.8
    water 0.84
    ethyl acetate 1179.6
    n-propanol 1338.57
    acetone 1407.59
    n-butanol 1178.48
    acetonitrile 1213.12
    DMF 1469.42
    toluene 1120.29
    isobutanol 1230.2
    1,4-dioxane 2175.11
    methyl acetate 1039.15
    THF 3013.8
    2-butanone 1349.71
    n-pentanol 731.64
    sec-butanol 1262.41
    n-hexane 242.8
    ethylene glycol 148.15
    NMP 1427.45
    cyclohexane 600.43
    DMSO 1016.26
    n-butyl acetate 1164.55
    n-octanol 484.44
    chloroform 4471.36
    n-propyl acetate 696.52
    acetic acid 719.77
    dichloromethane 3093.67
    cyclohexanone 2453.38
    propylene glycol 360.13
    isopropyl acetate 850.83
    DMAc 1053.56
    2-ethoxyethanol 530.05
    isopentanol 1113.19
    n-heptane 136.41
    ethyl formate 792.48
    1,2-dichloroethane 1745.03
    n-hexanol 1261.67
    2-methoxyethanol 1014.23
    isobutyl acetate 549.68
    tetrachloromethane 688.09
    n-pentyl acetate 670.33
    transcutol 1824.19
    n-heptanol 483.69
    ethylbenzene 528.82
    MIBK 733.67
    2-propoxyethanol 1080.31
    tert-butanol 1707.82
    MTBE 1554.56
    2-butoxyethanol 562.49
    propionic acid 864.68
    o-xylene 660.32
    formic acid 178.47
    diethyl ether 1195.44
    m-xylene 716.05
    p-xylene 755.26
    chlorobenzene 1437.88
    dimethyl carbonate 307.51
    n-octane 59.14
    formamide 249.37
    cyclopentanone 2158.47
    2-pentanone 1100.91
    anisole 761.33
    cyclopentyl methyl ether 1384.02
    gamma-butyrolactone 2101.05
    1-methoxy-2-propanol 965.05
    pyridine 1768.68
    3-pentanone 773.06
    furfural 1469.18
    n-dodecane 45.92
    diethylene glycol 543.0
    diisopropyl ether 426.29
    tert-amyl alcohol 1332.85
    acetylacetone 969.96
    n-hexadecane 55.6
    acetophenone 671.84
    methyl propionate 783.88
    isopentyl acetate 1035.77
    trichloroethylene 2991.21
    n-nonanol 402.18
    cyclohexanol 1535.25
    benzyl alcohol 618.78
    2-ethylhexanol 667.81
    isooctanol 388.97
    dipropyl ether 608.9
    1,2-dichlorobenzene 1088.2
    ethyl lactate 285.03
    propylene carbonate 1294.88
    n-methylformamide 685.93
    2-pentanol 890.77
    n-pentane 224.82
    1-propoxy-2-propanol 864.96
    1-methoxy-2-propyl acetate 857.46
    2-(2-methoxypropoxy) propanol 560.28
    mesitylene 470.03
    ε-caprolactone 1888.34
    p-cymene 333.58
    epichlorohydrin 2090.91
    1,1,1-trichloroethane 2094.07
    2-aminoethanol 430.72
    morpholine-4-carbaldehyde 1310.2
    sulfolane 1844.96
    2,2,4-trimethylpentane 123.43
    2-methyltetrahydrofuran 2273.46
    n-hexyl acetate 984.02
    isooctane 98.81
    2-(2-butoxyethoxy)ethanol 744.15
    sec-butyl acetate 535.42
    tert-butyl acetate 846.13
    decalin 191.92
    glycerin 333.27
    diglyme 1155.3
    acrylic acid 566.77
    isopropyl myristate 352.19
    n-butyric acid 1364.83
    acetyl acetate 702.03
    di(2-ethylhexyl) phthalate 333.77
    ethyl propionate 582.25
    nitromethane 1078.45
    1,2-diethoxyethane 761.73
    benzonitrile 1056.8
    trioctyl phosphate 259.09
    1-bromopropane 1419.23
    gamma-valerolactone 2264.74
    n-decanol 290.9
    triethyl phosphate 267.78
    4-methyl-2-pentanol 528.92
    propionitrile 1307.01
    vinylene carbonate 1125.49
    1,1,2-trichlorotrifluoroethane 1081.29
    DMS 609.12
    cumene 366.43
    2-octanol 379.79
    2-hexanone 767.7
    octyl acetate 449.1
    limonene 540.13
    1,2-dimethoxyethane 1190.98
    ethyl orthosilicate 267.77
    tributyl phosphate 313.6
    diacetone alcohol 781.92
    N,N-dimethylaniline 474.42
    acrylonitrile 1154.55
    aniline 1048.84
    1,3-propanediol 614.25
    bromobenzene 1608.53
    dibromomethane 2374.2
    1,1,2,2-tetrachloroethane 2617.96
    2-methyl-cyclohexyl acetate 564.19
    tetrabutyl urea 362.84
    diisobutyl methanol 337.28
    2-phenylethanol 720.31
    styrene 655.89
    dioctyl adipate 461.97
    dimethyl sulfate 464.57
    ethyl butyrate 648.35
    methyl lactate 363.04
    butyl lactate 484.63
    diethyl carbonate 413.05
    propanediol butyl ether 610.24
    triethyl orthoformate 416.67
    p-tert-butyltoluene 337.64
    methyl 4-tert-butylbenzoate 609.11
    morpholine 2404.62
    tert-butylamine 1263.72
    n-dodecanol 215.25
    dimethoxymethane 848.83
    ethylene carbonate 1038.56
    cyrene 484.78
    2-ethoxyethyl acetate 694.68
    2-ethylhexyl acetate 817.13
    1,2,4-trichlorobenzene 1249.31
    4-methylpyridine 1890.75
    dibutyl ether 537.88
    2,6-dimethyl-4-heptanol 337.28
    DEF 977.9
    dimethyl isosorbide 950.61
    tetrachloroethylene 1588.09
    eugenol 512.24
    triacetin 676.1
    span 80 596.56
    1,4-butanediol 238.79
    1,1-dichloroethane 2261.4
    2-methyl-1-pentanol 676.02
    methyl formate 533.21
    2-methyl-1-butanol 1018.12
    n-decane 86.02
    butyronitrile 1398.64
    3,7-dimethyl-1-octanol 476.19
    1-chlorooctane 381.01
    1-chlorotetradecane 142.49
    n-nonane 88.24
    undecane 60.52
    tert-butylcyclohexane 167.07
    cyclooctane 159.93
    cyclopentanol 1504.62
    tetrahydropyran 2758.91
    tert-amyl methyl ether 890.51
    2,5,8-trioxanonane 777.93
    1-hexene 761.16
    2-isopropoxyethanol 469.08
    2,2,2-trifluoroethanol 249.1
    methyl butyrate 807.51

    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