2-Pinen-10-yl isobutyrate

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  • Identifiers

    CAS number
    29021-37-2

    Molecular formula
    C14H22O2

    SMILES
    CC(C)C(=O)OCC1=CCC2CC1C2(C)C

  • Odor profile

    Fragrance
    Fruity 85.98%
    Woody 75.02%
    Herbal 68.12%
    Sweet 52.68%
    Pine 47.56%
    Spicy 44.49%
    Balsamic 41.18%
    Berry 35.64%
    Camphoreous 35.03%
    Floral 34.59%

     

    Flavor
    Woody 40.96%
    Herbal 35.35%
    Fruity 34.27%
    Sweet 34.14%
    Bitter 32.04%
    Pine 31.71%
    Balsam 27.65%
    Tropical 26.24%
    Camphor 26.17%
    Fruit 25.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.27 (weak base)

    Molecular weight
    222.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    278°C

    Flash point

    • 112.92 ˚C est.

  • Synonyms

    • 2-Pinen-10-yl isobutyrate
    • 29021-37-2
    • (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2-methylpropanoate
    • (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2-methylpropanoate
    • EINECS 249-372-8
    • SCHEMBL3506292
    • DTXSID00951629
    • 2-pinen-10-yl 2-methylpropionate
    • Isobutyric acid, 2-pinen-10-yl ester
    • NS00051152

  • Applications

    2-Pinen-10-yl isobutyrate (CAS 29021-37-2) is primarily used as a fragrance ingredient and fixative derived from pinene, adding piney and resinous notes to formulations. In perfumery and cosmetics/personal care, it serves as a scent component in products such as fragrances, lotions, and bath products, where it helps to extend the fragrance. In household products, it can impart pine accords in air fresheners, cleaners, and detergents. In industrial manufacturing, it may be used as an intermediate or starting material for the synthesis of related terpenoid esters and fragrance compounds. It can also be used in coatings or inks as a fragrance additive to provide long-lasting aroma. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 824.63
    methanol 638.33
    isopropanol 664.39
    water 1.99
    ethyl acetate 1358.3
    n-propanol 673.01
    acetone 837.17
    n-butanol 715.21
    acetonitrile 703.12
    DMF 981.48
    toluene 745.91
    isobutanol 537.74
    1,4-dioxane 1657.68
    methyl acetate 895.24
    THF 1440.49
    2-butanone 796.92
    n-pentanol 381.31
    sec-butanol 514.55
    n-hexane 85.77
    ethylene glycol 113.59
    NMP 534.29
    cyclohexane 145.86
    DMSO 388.27
    n-butyl acetate 901.43
    n-octanol 203.07
    chloroform 2527.78
    n-propyl acetate 601.16
    acetic acid 720.47
    dichloromethane 1750.56
    cyclohexanone 885.02
    propylene glycol 181.47
    isopropyl acetate 1001.97
    DMAc 843.85
    2-ethoxyethanol 645.57
    isopentanol 738.32
    n-heptane 36.38
    ethyl formate 529.87
    1,2-dichloroethane 1240.97
    n-hexanol 582.8
    2-methoxyethanol 1013.19
    isobutyl acetate 458.41
    tetrachloromethane 376.47
    n-pentyl acetate 420.57
    transcutol 3080.56
    n-heptanol 252.44
    ethylbenzene 382.48
    MIBK 643.23
    2-propoxyethanol 1009.05
    tert-butanol 802.03
    MTBE 1201.13
    2-butoxyethanol 563.07
    propionic acid 445.96
    o-xylene 423.77
    formic acid 296.69
    diethyl ether 1193.38
    m-xylene 575.19
    p-xylene 485.86
    chlorobenzene 861.8
    dimethyl carbonate 411.83
    n-octane 16.71
    formamide 547.61
    cyclopentanone 836.66
    2-pentanone 854.87
    anisole 729.94
    cyclopentyl methyl ether 812.8
    gamma-butyrolactone 901.73
    1-methoxy-2-propanol 853.71
    pyridine 1075.01
    3-pentanone 614.74
    furfural 943.65
    n-dodecane 12.85
    diethylene glycol 654.71
    diisopropyl ether 470.07
    tert-amyl alcohol 662.15
    acetylacetone 999.3
    n-hexadecane 15.55
    acetophenone 544.07
    methyl propionate 798.88
    isopentyl acetate 846.74
    trichloroethylene 2289.32
    n-nonanol 198.53
    cyclohexanol 505.46
    benzyl alcohol 460.59
    2-ethylhexanol 304.71
    isooctanol 227.52
    dipropyl ether 350.55
    1,2-dichlorobenzene 795.75
    ethyl lactate 249.92
    propylene carbonate 657.93
    n-methylformamide 561.36
    2-pentanol 547.1
    n-pentane 99.29
    1-propoxy-2-propanol 645.37
    1-methoxy-2-propyl acetate 1042.72
    2-(2-methoxypropoxy) propanol 539.91
    mesitylene 355.29
    ε-caprolactone 902.51
    p-cymene 188.78
    epichlorohydrin 1564.71
    1,1,1-trichloroethane 1318.47
    2-aminoethanol 315.49
    morpholine-4-carbaldehyde 1055.95
    sulfolane 562.48
    2,2,4-trimethylpentane 68.65
    2-methyltetrahydrofuran 1104.93
    n-hexyl acetate 525.63
    isooctane 71.25
    2-(2-butoxyethoxy)ethanol 807.83
    sec-butyl acetate 591.26
    tert-butyl acetate 959.05
    decalin 85.69
    glycerin 243.81
    diglyme 1382.96
    acrylic acid 371.2
    isopropyl myristate 197.57
    n-butyric acid 807.12
    acetyl acetate 825.3
    di(2-ethylhexyl) phthalate 182.46
    ethyl propionate 571.54
    nitromethane 1063.54
    1,2-diethoxyethane 1117.46
    benzonitrile 607.52
    trioctyl phosphate 121.67
    1-bromopropane 740.73
    gamma-valerolactone 1293.46
    n-decanol 137.43
    triethyl phosphate 205.22
    4-methyl-2-pentanol 424.6
    propionitrile 579.46
    vinylene carbonate 674.51
    1,1,2-trichlorotrifluoroethane 866.79
    DMS 600.3
    cumene 264.6
    2-octanol 160.71
    2-hexanone 481.08
    octyl acetate 244.13
    limonene 220.21
    1,2-dimethoxyethane 1115.82
    ethyl orthosilicate 222.72
    tributyl phosphate 167.75
    diacetone alcohol 740.38
    N,N-dimethylaniline 437.25
    acrylonitrile 640.79
    aniline 697.76
    1,3-propanediol 554.25
    bromobenzene 880.8
    dibromomethane 1154.97
    1,1,2,2-tetrachloroethane 1891.22
    2-methyl-cyclohexyl acetate 345.96
    tetrabutyl urea 171.39
    diisobutyl methanol 207.33
    2-phenylethanol 547.36
    styrene 458.35
    dioctyl adipate 250.18
    dimethyl sulfate 407.56
    ethyl butyrate 495.25
    methyl lactate 342.4
    butyl lactate 326.82
    diethyl carbonate 348.4
    propanediol butyl ether 404.02
    triethyl orthoformate 358.48
    p-tert-butyltoluene 191.64
    methyl 4-tert-butylbenzoate 405.78
    morpholine 1644.98
    tert-butylamine 601.5
    n-dodecanol 99.28
    dimethoxymethane 947.73
    ethylene carbonate 597.28
    cyrene 321.18
    2-ethoxyethyl acetate 776.42
    2-ethylhexyl acetate 638.37
    1,2,4-trichlorobenzene 839.62
    4-methylpyridine 1232.88
    dibutyl ether 293.16
    2,6-dimethyl-4-heptanol 207.33
    DEF 850.58
    dimethyl isosorbide 705.39
    tetrachloroethylene 1175.63
    eugenol 382.25
    triacetin 510.49
    span 80 362.52
    1,4-butanediol 188.39
    1,1-dichloroethane 1406.79
    2-methyl-1-pentanol 467.88
    methyl formate 409.21
    2-methyl-1-butanol 606.83
    n-decane 23.63
    butyronitrile 633.93
    3,7-dimethyl-1-octanol 292.57
    1-chlorooctane 133.55
    1-chlorotetradecane 50.26
    n-nonane 21.12
    undecane 16.8
    tert-butylcyclohexane 84.23
    cyclooctane 60.4
    cyclopentanol 400.22
    tetrahydropyran 1366.4
    tert-amyl methyl ether 783.49
    2,5,8-trioxanonane 798.32
    1-hexene 269.32
    2-isopropoxyethanol 526.3
    2,2,2-trifluoroethanol 326.04
    methyl butyrate 651.91

    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
Roman chamomile (Germany) 1a hydrodistillate 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.05%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 1.04%