endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate

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  • Identifiers

    CAS number
    85586-66-9

    Molecular formula
    C14H24O2

    SMILES
    CC(C)C(=O)OC1CC2CCC1(C2(C)C)C

  • Odor profile

    Woody 84.63%
    Herbal 79.22%
    Fruity 75.66%
    Pine 63.85%
    Camphoreous 58.05%
    Balsamic 57.74%
    Earthy 52.01%
    Spicy 47.14%
    Cedar 42.5%
    Mint 40.07%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    253°C

    Flash point est.
    100.81 ˚C

  • Synonyms

    • Bornyl isobutyrate
    • Borneol isobutyrate
    • EINECS 287-871-2
    • 85586-66-9
    • SCHEMBL1628256
    • DTXSID30868918
    • endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate
    • NS00049587
    • 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 2-METHYLPROPANOATE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1773.66
    methanol 1815.9
    isopropanol 2012.71
    water 55.99
    ethyl acetate 2755.51
    n-propanol 1560.61
    acetone 2886.72
    n-butanol 1394.8
    acetonitrile 2211.48
    DMF 3483.64
    toluene 2061.96
    isobutanol 1471.7
    1,4-dioxane 4964.61
    methyl acetate 2548.95
    THF 4149.04
    2-butanone 2349.88
    n-pentanol 970.08
    sec-butanol 1545.38
    n-hexane 234.68
    ethylene glycol 356.48
    NMP 1767.09
    cyclohexane 557.38
    DMSO 1286.21
    n-butyl acetate 1597.17
    n-octanol 629.9
    chloroform 6629.74
    n-propyl acetate 1609.64
    acetic acid 1693.63
    dichloromethane 4508.34
    cyclohexanone 2557.96
    propylene glycol 546.84
    isopropyl acetate 2241.12
    DMAc 2655.0
    2-ethoxyethanol 1519.91
    isopentanol 1496.6
    n-heptane 134.56
    ethyl formate 1754.47
    1,2-dichloroethane 2536.06
    n-hexanol 1198.37
    2-methoxyethanol 2256.33
    isobutyl acetate 1260.95
    tetrachloromethane 1665.7
    n-pentyl acetate 1025.89
    transcutol 3303.15
    n-heptanol 721.87
    ethylbenzene 1375.02
    MIBK 1497.57
    2-propoxyethanol 1890.9
    tert-butanol 2412.77
    MTBE 2728.24
    2-butoxyethanol 1334.16
    propionic acid 1281.67
    o-xylene 1404.41
    formic acid 826.03
    diethyl ether 1988.01
    m-xylene 1492.91
    p-xylene 2514.32
    chlorobenzene 2357.01
    dimethyl carbonate 1084.35
    n-octane 81.39
    formamide 1796.78
    cyclopentanone 2658.67
    2-pentanone 1776.17
    anisole 2331.23
    cyclopentyl methyl ether 1683.14
    gamma-butyrolactone 2940.33
    1-methoxy-2-propanol 1874.14
    pyridine 3434.39
    3-pentanone 1384.82
    furfural 2952.76
    n-dodecane 67.76
    diethylene glycol 1162.46
    diisopropyl ether 929.92
    tert-amyl alcohol 1739.14
    acetylacetone 2819.41
    n-hexadecane 81.69
    acetophenone 1865.7
    methyl propionate 1718.32
    isopentyl acetate 1720.61
    trichloroethylene 5203.34
    n-nonanol 613.0
    cyclohexanol 1275.08
    benzyl alcohol 1496.6
    2-ethylhexanol 723.16
    isooctanol 673.06
    dipropyl ether 818.34
    1,2-dichlorobenzene 2227.35
    ethyl lactate 604.76
    propylene carbonate 2069.74
    n-methylformamide 1905.73
    2-pentanol 1141.48
    n-pentane 251.95
    1-propoxy-2-propanol 1230.63
    1-methoxy-2-propyl acetate 1720.1
    2-(2-methoxypropoxy) propanol 1072.06
    mesitylene 1055.07
    ε-caprolactone 2323.31
    p-cymene 613.91
    epichlorohydrin 3178.45
    1,1,1-trichloroethane 4121.71
    2-aminoethanol 892.86
    morpholine-4-carbaldehyde 2764.46
    sulfolane 1854.23
    2,2,4-trimethylpentane 196.38
    2-methyltetrahydrofuran 2962.59
    n-hexyl acetate 1372.85
    isooctane 176.42
    2-(2-butoxyethoxy)ethanol 1374.27
    sec-butyl acetate 1387.69
    tert-butyl acetate 2173.97
    decalin 317.37
    glycerin 597.58
    diglyme 2871.17
    acrylic acid 1134.53
    isopropyl myristate 599.1
    n-butyric acid 1781.05
    acetyl acetate 2281.58
    di(2-ethylhexyl) phthalate 531.67
    ethyl propionate 1408.8
    nitromethane 3372.25
    1,2-diethoxyethane 1620.52
    benzonitrile 2205.88
    trioctyl phosphate 358.48
    1-bromopropane 1456.06
    gamma-valerolactone 3720.98
    n-decanol 439.42
    triethyl phosphate 574.99
    4-methyl-2-pentanol 889.94
    propionitrile 1787.25
    vinylene carbonate 2296.4
    1,1,2-trichlorotrifluoroethane 2071.45
    DMS 1421.66
    cumene 929.53
    2-octanol 530.28
    2-hexanone 1458.99
    octyl acetate 692.76
    limonene 644.52
    1,2-dimethoxyethane 3253.91
    ethyl orthosilicate 597.06
    tributyl phosphate 451.31
    diacetone alcohol 1540.26
    N,N-dimethylaniline 1493.42
    acrylonitrile 2096.07
    aniline 2020.51
    1,3-propanediol 1262.15
    bromobenzene 2529.96
    dibromomethane 2844.78
    1,1,2,2-tetrachloroethane 4290.8
    2-methyl-cyclohexyl acetate 1001.03
    tetrabutyl urea 489.8
    diisobutyl methanol 496.69
    2-phenylethanol 1533.78
    styrene 1597.55
    dioctyl adipate 717.18
    dimethyl sulfate 1242.78
    ethyl butyrate 1221.39
    methyl lactate 782.58
    butyl lactate 759.65
    diethyl carbonate 952.9
    propanediol butyl ether 920.19
    triethyl orthoformate 883.58
    p-tert-butyltoluene 644.84
    methyl 4-tert-butylbenzoate 1244.36
    morpholine 4161.57
    tert-butylamine 1762.51
    n-dodecanol 327.78
    dimethoxymethane 2282.77
    ethylene carbonate 1972.51
    cyrene 876.44
    2-ethoxyethyl acetate 1376.79
    2-ethylhexyl acetate 1277.04
    1,2,4-trichlorobenzene 2405.31
    4-methylpyridine 3699.77
    dibutyl ether 757.81
    2,6-dimethyl-4-heptanol 496.69
    DEF 1764.67
    dimethyl isosorbide 1714.35
    tetrachloroethylene 3125.37
    eugenol 1181.18
    triacetin 1248.19
    span 80 841.79
    1,4-butanediol 519.52
    1,1-dichloroethane 3501.0
    2-methyl-1-pentanol 1034.91
    methyl formate 1523.33
    2-methyl-1-butanol 1260.76
    n-decane 116.23
    butyronitrile 1741.34
    3,7-dimethyl-1-octanol 722.1
    1-chlorooctane 445.58
    1-chlorotetradecane 203.21
    n-nonane 103.93
    undecane 84.41
    tert-butylcyclohexane 300.24
    cyclooctane 209.2
    cyclopentanol 1364.15
    tetrahydropyran 3290.03
    tert-amyl methyl ether 1490.91
    2,5,8-trioxanonane 1678.21
    1-hexene 708.94
    2-isopropoxyethanol 1162.36
    2,2,2-trifluoroethanol 1066.35
    methyl butyrate 1734.64

    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
Annual wormwood (India) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.8%