Pinocarvyl isobutyrate

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  • Identifiers

    CAS number
    929116-08-5

    Molecular formula
    C14H22O2

    SMILES
    CC(C)C(=O)OC1CC2CC(C1=C)C2(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.33%
    Herbal 75.61%
    Mint 62.76%
    Woody 53.9%
    Sweet 52.5%
    Camphoreous 51.49%
    Pine 47.33%
    Spicy 43.41%
    Cooling 43.01%
    Fresh 39.05%

     

    Flavor
    Bitter 47.28%
    Woody 39.69%
    Herbal 29.37%
    Camphor 27.84%
    Pine 27.84%
    Fruity 25.63%
    Minty 23.42%
    Cedarleaf 22.06%
    Broom 21.46%
    Genet 21.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.0 (neutral)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 100.17 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Pinocarvyl isobutyrate
    • Fema No. 4525
    • 2(10)-Pinen-3-yl isobutyrate
    • UNII-5O4LMR35KN
    • 5O4LMR35KN
    • Propanoic acid, 2-methyl-, 6,6-dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl ester
    • 929116-08-5
    • Propanoic acid, 2-methyl-, 6,6-dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl ester
    • RefChem:174344
    • PINOCARVYL ISOBUTYRATE, (+-)-
    • 6,6-DIMETHYL-2-METHYLIDENEBICYCLO(3.1.1)-HEPT-3-YL-2-METHYLPROPANOATE
    • Pinocarvyl isobutyrate, (+/-)-
    • 6,6-Dimethyl-2-methylidenebicyclo(3.1.1)- HEPT-3-YL-2-methylpropanoate
    • SCHEMBL29655032
    • Q27262624
    • 929116-08-5

  • Applications

    Pinocarvyl isobutyrate (CAS 929116-08-5) is primarily used as a fragrance ingredient and odorant in the perfumery and cosmetics industries, where it can function as an aroma component and/or a fixative in formulations; it is also employed as an intermediate in the synthesis of other aroma compounds and may appear as a scent additive in personal care and household products; in addition, it may be used in industrial contexts related to fragrances, and as an aroma component in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1417.35
    methanol 1206.9
    isopropanol 1353.01
    water 3.22
    ethyl acetate 1568.23
    n-propanol 1161.82
    acetone 1212.22
    n-butanol 1117.63
    acetonitrile 1045.19
    DMF 1492.18
    toluene 936.25
    isobutanol 977.43
    1,4-dioxane 2215.74
    methyl acetate 1210.66
    THF 2437.76
    2-butanone 1210.67
    n-pentanol 616.86
    sec-butanol 1032.79
    n-hexane 93.74
    ethylene glycol 179.66
    NMP 713.63
    cyclohexane 153.31
    DMSO 586.81
    n-butyl acetate 1350.36
    n-octanol 380.23
    chloroform 3104.95
    n-propyl acetate 831.41
    acetic acid 839.72
    dichloromethane 2139.01
    cyclohexanone 1200.78
    propylene glycol 323.99
    isopropyl acetate 1282.53
    DMAc 1105.91
    2-ethoxyethanol 908.35
    isopentanol 1144.38
    n-heptane 45.72
    ethyl formate 823.88
    1,2-dichloroethane 1378.88
    n-hexanol 968.57
    2-methoxyethanol 1460.17
    isobutyl acetate 619.31
    tetrachloromethane 501.01
    n-pentyl acetate 620.18
    transcutol 3068.55
    n-heptanol 413.02
    ethylbenzene 531.98
    MIBK 866.55
    2-propoxyethanol 1441.75
    tert-butanol 1368.18
    MTBE 1746.68
    2-butoxyethanol 791.59
    propionic acid 624.46
    o-xylene 543.37
    formic acid 378.07
    diethyl ether 1364.77
    m-xylene 716.25
    p-xylene 728.53
    chlorobenzene 1096.49
    dimethyl carbonate 469.15
    n-octane 27.13
    formamide 620.81
    cyclopentanone 1241.56
    2-pentanone 1126.71
    anisole 950.6
    cyclopentyl methyl ether 1025.42
    gamma-butyrolactone 1358.83
    1-methoxy-2-propanol 1264.61
    pyridine 1482.79
    3-pentanone 731.59
    furfural 1341.54
    n-dodecane 21.34
    diethylene glycol 869.87
    diisopropyl ether 530.98
    tert-amyl alcohol 1127.42
    acetylacetone 1210.87
    n-hexadecane 25.31
    acetophenone 721.31
    methyl propionate 941.06
    isopentyl acetate 1251.41
    trichloroethylene 2710.63
    n-nonanol 333.42
    cyclohexanol 741.58
    benzyl alcohol 647.23
    2-ethylhexanol 468.19
    isooctanol 384.47
    dipropyl ether 446.68
    1,2-dichlorobenzene 952.53
    ethyl lactate 345.4
    propylene carbonate 959.85
    n-methylformamide 818.7
    2-pentanol 876.68
    n-pentane 112.32
    1-propoxy-2-propanol 989.3
    1-methoxy-2-propyl acetate 1249.79
    2-(2-methoxypropoxy) propanol 648.74
    mesitylene 430.71
    ε-caprolactone 1209.95
    p-cymene 260.49
    epichlorohydrin 1961.25
    1,1,1-trichloroethane 1580.6
    2-aminoethanol 519.23
    morpholine-4-carbaldehyde 1322.39
    sulfolane 790.89
    2,2,4-trimethylpentane 87.88
    2-methyltetrahydrofuran 1713.35
    n-hexyl acetate 813.56
    isooctane 89.87
    2-(2-butoxyethoxy)ethanol 963.93
    sec-butyl acetate 763.12
    tert-butyl acetate 1173.41
    decalin 100.33
    glycerin 359.99
    diglyme 1578.39
    acrylic acid 485.84
    isopropyl myristate 288.1
    n-butyric acid 1159.95
    acetyl acetate 897.87
    di(2-ethylhexyl) phthalate 253.4
    ethyl propionate 689.77
    nitromethane 1217.26
    1,2-diethoxyethane 1230.35
    benzonitrile 954.07
    trioctyl phosphate 178.68
    1-bromopropane 875.07
    gamma-valerolactone 1798.23
    n-decanol 227.77
    triethyl phosphate 256.76
    4-methyl-2-pentanol 630.15
    propionitrile 868.14
    vinylene carbonate 976.63
    1,1,2-trichlorotrifluoroethane 1042.67
    DMS 723.29
    cumene 368.04
    2-octanol 311.84
    2-hexanone 708.27
    octyl acetate 347.88
    limonene 298.66
    1,2-dimethoxyethane 1475.23
    ethyl orthosilicate 269.47
    tributyl phosphate 244.14
    diacetone alcohol 955.55
    N,N-dimethylaniline 548.24
    acrylonitrile 917.61
    aniline 912.33
    1,3-propanediol 858.29
    bromobenzene 1112.24
    dibromomethane 1400.35
    1,1,2,2-tetrachloroethane 2204.34
    2-methyl-cyclohexyl acetate 458.47
    tetrabutyl urea 242.17
    diisobutyl methanol 316.89
    2-phenylethanol 803.98
    styrene 614.55
    dioctyl adipate 338.02
    dimethyl sulfate 455.75
    ethyl butyrate 683.41
    methyl lactate 433.32
    butyl lactate 500.4
    diethyl carbonate 443.56
    propanediol butyl ether 656.78
    triethyl orthoformate 448.34
    p-tert-butyltoluene 264.68
    methyl 4-tert-butylbenzoate 533.24
    morpholine 2280.87
    tert-butylamine 987.45
    n-dodecanol 163.46
    dimethoxymethane 1191.24
    ethylene carbonate 842.89
    cyrene 415.29
    2-ethoxyethyl acetate 965.94
    2-ethylhexyl acetate 890.67
    1,2,4-trichlorobenzene 1022.22
    4-methylpyridine 1794.72
    dibutyl ether 450.49
    2,6-dimethyl-4-heptanol 316.89
    DEF 1027.18
    dimethyl isosorbide 892.58
    tetrachloroethylene 1373.99
    eugenol 525.34
    triacetin 623.29
    span 80 486.66
    1,4-butanediol 316.65
    1,1-dichloroethane 1782.68
    2-methyl-1-pentanol 698.87
    methyl formate 633.43
    2-methyl-1-butanol 969.85
    n-decane 39.63
    butyronitrile 1023.02
    3,7-dimethyl-1-octanol 492.98
    1-chlorooctane 215.94
    1-chlorotetradecane 77.63
    n-nonane 36.35
    undecane 27.87
    tert-butylcyclohexane 108.43
    cyclooctane 59.36
    cyclopentanol 696.95
    tetrahydropyran 1835.89
    tert-amyl methyl ether 1002.2
    2,5,8-trioxanonane 906.02
    1-hexene 368.7
    2-isopropoxyethanol 725.06
    2,2,2-trifluoroethanol 380.29
    methyl butyrate 870.93

    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