Pinocarvyl acetate

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  • Identifiers

    CAS number
    1078-95-1

    Molecular formula
    C12H18O2

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

    Retention indicies (RI)

    • DB5: 1305.0
    • Carbowax: 1670.0

  • Odor profile

    Fruity 85.0%
    Herbal 81.41%
    Mint 76.11%
    Camphoreous 59.22%
    Sweet 53.57%
    Woody 50.97%
    Fresh 50.84%
    Cooling 50.78%
    Pine 50.29%
    Spicy 47.63%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point est.
    91.85 ˚C

  • Synonyms

    • Pinocarvyl acetate
    • 1078-95-1
    • 6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate
    • 2(10)-Pinen-3-ol, acetate
    • cis-Pinocarvyl acetate
    • TRE9OV3CFK
    • UNII-TRE9OV3CFK
    • EINECS 214-085-9
    • (6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl) acetate
    • DTXSID2051550
    • Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, 3-acetate
    • Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate
    • Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3S,5R)-
    • 6,6-Dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate
    • Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate
    • EINECS 251-357-6
    • Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, 3-acetate
    • Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1R,3S,5R)-
    • (6,6-dimethyl-2-methylidene-3-bicyclo(3.1.1)heptanyl) acetate
    • Pinocarvyl acetic acid
    • trans-Pinocarvyl acetate
    • UNII-3ZVF5VC3C3
    • (-)-trans-Pinocarvyl acetate
    • DTXCID6030102
    • FEMA NO. 4807
    • SCHEMBL11194228
    • Bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate, (1theta-(1alpha,3alpha,5alpha))-
    • DB-247175
    • NS00013156
    • Q67879802
    • (7,7-Dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl) acetate
    • (1R,3S,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-yl acetate
    • (1R-(1alpha,3alpha,5alpha))-6,6-Dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate

  • Applications

    Pinocarvyl acetate (CAS 1078-95-1) is a monoterpene ester with a piney, herbal, slightly camphoraceous odor, used chiefly as a fragrance ingredient to build coniferous/forest, resinous, and green-herbal facets and to add airy freshness and diffusion in perfumery (fougère, chypre, citrus colognes), personal care scents, soaps and detergents, household cleaners, air care/deodorizers, candles, and automotive fragrances; it excels at lifting top notes, masking solvent harshness, and reinforcing leafy-woody accords, blending well with pine and fir needle, juniper, cypress, cedarwood, rosemary, eucalyptus, lavender, galbanum, and citrus terpenes, and can support “outdoor/insect-repellent-style” themes; in flavor, it is occasionally used at trace levels to impart coniferous, resinous, cool woody-herbal nuances to confectionery, chewing gum, baked goods, or savory seasonings (subject to local food regulations and safety standards); in aroma/terpene chemistry it also serves as an intermediate/chiral building block for related monoterpenes; it is bio-based from turpentine streams; formulate at low dosages to avoid dominance, verify applicable IFRA limits by product category, and consider ester stability (susceptible to hydrolysis in strong alkali) and storage in cool, light-protected, well-closed conditions to preserve odor quality.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 711.66
    methanol 870.82
    isopropanol 704.37
    water 10.43
    ethyl acetate 668.73
    n-propanol 642.79
    acetone 739.61
    n-butanol 587.0
    acetonitrile 590.19
    DMF 1091.19
    toluene 447.29
    isobutanol 481.43
    1,4-dioxane 1269.36
    methyl acetate 660.76
    THF 1542.7
    2-butanone 636.44
    n-pentanol 283.8
    sec-butanol 479.97
    n-hexane 31.47
    ethylene glycol 254.37
    NMP 563.33
    cyclohexane 61.27
    DMSO 588.23
    n-butyl acetate 325.38
    n-octanol 123.7
    chloroform 1956.87
    n-propyl acetate 273.47
    acetic acid 534.59
    dichloromethane 1198.87
    cyclohexanone 637.22
    propylene glycol 298.86
    isopropyl acetate 475.55
    DMAc 775.39
    2-ethoxyethanol 496.1
    isopentanol 527.13
    n-heptane 11.51
    ethyl formate 401.53
    1,2-dichloroethane 828.9
    n-hexanol 361.51
    2-methoxyethanol 1007.61
    isobutyl acetate 200.08
    tetrachloromethane 271.6
    n-pentyl acetate 190.52
    transcutol 1489.86
    n-heptanol 142.09
    ethylbenzene 196.1
    MIBK 345.26
    2-propoxyethanol 686.93
    tert-butanol 790.08
    MTBE 669.55
    2-butoxyethanol 319.05
    propionic acid 414.08
    o-xylene 241.38
    formic acid 390.45
    diethyl ether 594.1
    m-xylene 312.14
    p-xylene 246.89
    chlorobenzene 523.56
    dimethyl carbonate 320.99
    n-octane 5.44
    formamide 567.24
    cyclopentanone 748.2
    2-pentanone 525.93
    anisole 438.77
    cyclopentyl methyl ether 559.53
    gamma-butyrolactone 874.54
    1-methoxy-2-propanol 807.75
    pyridine 815.47
    3-pentanone 376.89
    furfural 806.84
    n-dodecane 4.68
    diethylene glycol 611.75
    diisopropyl ether 178.82
    tert-amyl alcohol 512.25
    acetylacetone 581.54
    n-hexadecane 5.7
    acetophenone 326.87
    methyl propionate 503.14
    isopentyl acetate 319.31
    trichloroethylene 1537.02
    n-nonanol 109.66
    cyclohexanol 405.8
    benzyl alcohol 329.25
    2-ethylhexanol 150.74
    isooctanol 115.15
    dipropyl ether 144.32
    1,2-dichlorobenzene 443.87
    ethyl lactate 165.35
    propylene carbonate 496.11
    n-methylformamide 672.71
    2-pentanol 376.27
    n-pentane 40.48
    1-propoxy-2-propanol 400.36
    1-methoxy-2-propyl acetate 468.23
    2-(2-methoxypropoxy) propanol 294.31
    mesitylene 173.68
    ε-caprolactone 596.02
    p-cymene 84.74
    epichlorohydrin 1225.07
    1,1,1-trichloroethane 807.45
    2-aminoethanol 431.78
    morpholine-4-carbaldehyde 844.35
    sulfolane 620.29
    2,2,4-trimethylpentane 23.33
    2-methyltetrahydrofuran 948.69
    n-hexyl acetate 272.76
    isooctane 23.8
    2-(2-butoxyethoxy)ethanol 437.59
    sec-butyl acetate 236.27
    tert-butyl acetate 427.55
    decalin 31.27
    glycerin 394.1
    diglyme 761.6
    acrylic acid 389.8
    isopropyl myristate 89.86
    n-butyric acid 553.34
    acetyl acetate 425.4
    di(2-ethylhexyl) phthalate 109.36
    ethyl propionate 265.37
    nitromethane 846.69
    1,2-diethoxyethane 396.04
    benzonitrile 407.3
    trioctyl phosphate 72.1
    1-bromopropane 453.86
    gamma-valerolactone 1061.29
    n-decanol 74.57
    triethyl phosphate 104.71
    4-methyl-2-pentanol 254.2
    propionitrile 480.31
    vinylene carbonate 505.98
    1,1,2-trichlorotrifluoroethane 721.49
    DMS 329.03
    cumene 129.76
    2-octanol 88.0
    2-hexanone 268.61
    octyl acetate 116.53
    limonene 97.47
    1,2-dimethoxyethane 792.05
    ethyl orthosilicate 101.62
    tributyl phosphate 94.04
    diacetone alcohol 488.8
    N,N-dimethylaniline 253.79
    acrylonitrile 547.75
    aniline 571.5
    1,3-propanediol 592.22
    bromobenzene 495.16
    dibromomethane 794.3
    1,1,2,2-tetrachloroethane 1282.49
    2-methyl-cyclohexyl acetate 164.53
    tetrabutyl urea 105.1
    diisobutyl methanol 99.39
    2-phenylethanol 355.79
    styrene 242.51
    dioctyl adipate 121.7
    dimethyl sulfate 375.8
    ethyl butyrate 190.96
    methyl lactate 313.26
    butyl lactate 191.99
    diethyl carbonate 153.09
    propanediol butyl ether 316.66
    triethyl orthoformate 147.16
    p-tert-butyltoluene 89.07
    methyl 4-tert-butylbenzoate 237.21
    morpholine 1356.55
    tert-butylamine 467.96
    n-dodecanol 52.05
    dimethoxymethane 773.55
    ethylene carbonate 462.7
    cyrene 245.23
    2-ethoxyethyl acetate 338.41
    2-ethylhexyl acetate 231.39
    1,2,4-trichlorobenzene 519.0
    4-methylpyridine 881.05
    dibutyl ether 121.52
    2,6-dimethyl-4-heptanol 99.39
    DEF 469.92
    dimethyl isosorbide 436.85
    tetrachloroethylene 806.36
    eugenol 243.37
    triacetin 261.01
    span 80 215.22
    1,4-butanediol 199.79
    1,1-dichloroethane 951.21
    2-methyl-1-pentanol 282.4
    methyl formate 490.25
    2-methyl-1-butanol 434.74
    n-decane 8.69
    butyronitrile 449.83
    3,7-dimethyl-1-octanol 150.66
    1-chlorooctane 61.12
    1-chlorotetradecane 20.68
    n-nonane 7.61
    undecane 6.18
    tert-butylcyclohexane 29.56
    cyclooctane 18.75
    cyclopentanol 423.28
    tetrahydropyran 1007.25
    tert-amyl methyl ether 383.43
    2,5,8-trioxanonane 438.68
    1-hexene 128.32
    2-isopropoxyethanol 333.1
    2,2,2-trifluoroethanol 317.9
    methyl butyrate 317.61

    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
Satureja boliviana (Argentina) Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 0.3%
Satureja parvifolia (Argentina) Satureja parvifolia (Phil.) Epl., fam. Lamiaceae (Labiatae) 0.01%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.25%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.14%