Nopyl acetate

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  • Identifiers

    CAS number
    35836-72-7

    Molecular formula
    C13H20O2

    SMILES
    CC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 82.24%
    Fruity 80.51%
    Sweet 77.29%
    Herbal 70.0%
    Floral 67.98%
    Spicy 50.59%
    Pine 46.01%
    Balsamic 45.17%
    Fresh 41.32%
    Berry 38.88%

     

    Flavor
    Sweet 58.63%
    Herbal 43.31%
    Balsam 41.78%
    Pine 41.6%
    Woody 40.6%
    Citrus 36.96%
    Rose 30.46%
    Tropical 30.21%
    Fruit 30.18%
    Fresh 29.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.49 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point

    • 106.44 ˚C est.

  • Synonyms

    • (-)-Nopyl acetate
    • Nopyl acetate, (-)-
    • 35836-72-7
    • Citroviol
    • Nopol acetate
    • F361JE87ST
    • OTX3UCY28V
    • UNII-F361JE87ST
    • 2-Norpinene-2-ethanol, 6,6-dimethyl-, acetate
    • EC 800-940-9
    • Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1R,5S)-
    • (+/-)-NOPYL ACETATE
    • DTXSID40189368
    • NOPYL ACETATE, (+/-)-
    • (1R,5S)-2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl) ethyl acetate
    • NSC 1286
    • NSC-1286
    • EINECS 204-891-9
    • NSC-404963
    • AI3-14380
    • 6,6-Dimethyl-2-norpinene-2-ethanol, acetate
    • 2-Pinene-10-methyl acetate
    • Lignyl acetate
    • 7,7-DIMETHYLBICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL ACETATE
    • 2-(6,6-DIMETHYLBICYCLO(3.1.1)HEPT-2-EN-2-YL)ETHYL ACETAT
    • 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl acetate
    • BICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL, 6,6-DIMETHYL-, ACETATE, (1R)-
    • BICYCLO(3.1.1)HEPT-2-ENE-2-ETHANOL, 6,6-DIMETHYL-, ACETATE, (1R,5S)-
    • Bicyclo(3.1.1)hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate
    • 6,6-Dimethylbicyclo(3.1.1)-2-heptene-2-ethyl acetate
    • (1R,5S)-2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl) ethyl acetate
    • 2-((1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl acetate
    • 2-[(1R,5S)-6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL]ETHYL ACETATE
    • Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate, (1R,5S)-
    • UNII-OTX3UCY28V
    • NOPYL ACETATE [INCI]
    • Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-, 2-acetate
    • SCHEMBL4933865
    • DTXCID70111859
    • AWNOGHRWORTNEI-RYUDHWBXSA-N
    • DB-250976
    • 204-891-9
    • 800-940-9

  • Applications

    Nopyl acetate (CAS 35836-72-7) is an ester used as a solvent and processing aid in resin and polymer systems, coatings, and adhesives, helping dissolve components and improve processability in industrial manufacturing. It is employed as a fragrance ingredient in perfumery and may function as a solvent for aroma compounds. In cosmetics and personal care, it can serve as a solvent or fragrance constituent, aiding the dissolution of fragrance oils and additives. In the polymers/plastics sector, it may act as a processing solvent or plasticizer for certain polymer systems and adhesives. Additionally, it can be used as a cleaning solvent in industrial formulations and as a component in coatings or printing inks. Use and limits depend on local regulations and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 754.3
    methanol 664.67
    isopropanol 637.54
    water 2.94
    ethyl acetate 945.51
    n-propanol 617.02
    acetone 1048.45
    n-butanol 527.86
    acetonitrile 648.48
    DMF 1257.27
    toluene 433.09
    isobutanol 423.9
    1,4-dioxane 1589.39
    methyl acetate 768.98
    THF 1742.56
    2-butanone 727.17
    n-pentanol 227.28
    sec-butanol 372.21
    n-hexane 19.67
    ethylene glycol 216.35
    NMP 596.73
    cyclohexane 49.87
    DMSO 716.95
    n-butyl acetate 345.84
    n-octanol 95.16
    chloroform 1992.53
    n-propyl acetate 299.2
    acetic acid 482.57
    dichloromethane 1382.95
    cyclohexanone 719.64
    propylene glycol 292.95
    isopropyl acetate 590.16
    DMAc 817.48
    2-ethoxyethanol 516.01
    isopentanol 441.7
    n-heptane 10.75
    ethyl formate 342.35
    1,2-dichloroethane 978.15
    n-hexanol 294.66
    2-methoxyethanol 1163.35
    isobutyl acetate 216.07
    tetrachloromethane 207.96
    n-pentyl acetate 181.69
    transcutol 2525.46
    n-heptanol 101.74
    ethylbenzene 143.84
    MIBK 401.42
    2-propoxyethanol 710.61
    tert-butanol 716.9
    MTBE 790.67
    2-butoxyethanol 300.95
    propionic acid 432.78
    o-xylene 217.25
    formic acid 274.99
    diethyl ether 816.77
    m-xylene 317.49
    p-xylene 172.84
    chlorobenzene 494.39
    dimethyl carbonate 446.05
    n-octane 5.02
    formamide 530.77
    cyclopentanone 917.32
    2-pentanone 659.89
    anisole 430.47
    cyclopentyl methyl ether 723.53
    gamma-butyrolactone 980.86
    1-methoxy-2-propanol 976.39
    pyridine 742.57
    3-pentanone 513.02
    furfural 817.48
    n-dodecane 5.05
    diethylene glycol 680.7
    diisopropyl ether 219.26
    tert-amyl alcohol 420.4
    acetylacetone 826.27
    n-hexadecane 6.05
    acetophenone 308.56
    methyl propionate 726.33
    isopentyl acetate 330.2
    trichloroethylene 1776.17
    n-nonanol 89.06
    cyclohexanol 383.54
    benzyl alcohol 280.94
    2-ethylhexanol 126.48
    isooctanol 85.2
    dipropyl ether 176.44
    1,2-dichlorobenzene 424.39
    ethyl lactate 173.04
    propylene carbonate 513.57
    n-methylformamide 695.37
    2-pentanol 328.89
    n-pentane 29.99
    1-propoxy-2-propanol 414.6
    1-methoxy-2-propyl acetate 620.69
    2-(2-methoxypropoxy) propanol 351.33
    mesitylene 168.32
    ε-caprolactone 655.42
    p-cymene 73.37
    epichlorohydrin 1496.15
    1,1,1-trichloroethane 894.19
    2-aminoethanol 401.99
    morpholine-4-carbaldehyde 976.83
    sulfolane 759.75
    2,2,4-trimethylpentane 19.04
    2-methyltetrahydrofuran 1034.43
    n-hexyl acetate 286.97
    isooctane 20.07
    2-(2-butoxyethoxy)ethanol 549.63
    sec-butyl acetate 264.36
    tert-butyl acetate 581.9
    decalin 23.7
    glycerin 415.77
    diglyme 991.73
    acrylic acid 366.83
    isopropyl myristate 100.4
    n-butyric acid 567.15
    acetyl acetate 530.49
    di(2-ethylhexyl) phthalate 106.17
    ethyl propionate 315.65
    nitromethane 1026.93
    1,2-diethoxyethane 604.2
    benzonitrile 341.34
    trioctyl phosphate 72.35
    1-bromopropane 490.43
    gamma-valerolactone 1282.56
    n-decanol 65.75
    triethyl phosphate 115.51
    4-methyl-2-pentanol 214.97
    propionitrile 481.82
    vinylene carbonate 526.34
    1,1,2-trichlorotrifluoroethane 836.31
    DMS 403.43
    cumene 99.5
    2-octanol 64.89
    2-hexanone 259.78
    octyl acetate 128.57
    limonene 94.62
    1,2-dimethoxyethane 755.08
    ethyl orthosilicate 113.22
    tributyl phosphate 100.36
    diacetone alcohol 601.48
    N,N-dimethylaniline 216.22
    acrylonitrile 559.27
    aniline 580.72
    1,3-propanediol 601.52
    bromobenzene 484.96
    dibromomethane 837.32
    1,1,2,2-tetrachloroethane 1467.92
    2-methyl-cyclohexyl acetate 182.14
    tetrabutyl urea 114.05
    diisobutyl methanol 86.92
    2-phenylethanol 288.04
    styrene 182.6
    dioctyl adipate 147.47
    dimethyl sulfate 508.13
    ethyl butyrate 219.41
    methyl lactate 360.86
    butyl lactate 173.08
    diethyl carbonate 166.69
    propanediol butyl ether 302.35
    triethyl orthoformate 167.54
    p-tert-butyltoluene 78.74
    methyl 4-tert-butylbenzoate 248.89
    morpholine 1644.53
    tert-butylamine 410.04
    n-dodecanol 48.66
    dimethoxymethane 1153.26
    ethylene carbonate 469.18
    cyrene 246.79
    2-ethoxyethyl acetate 438.69
    2-ethylhexyl acetate 244.9
    1,2,4-trichlorobenzene 511.46
    4-methylpyridine 834.68
    dibutyl ether 139.64
    2,6-dimethyl-4-heptanol 86.92
    DEF 564.25
    dimethyl isosorbide 524.34
    tetrachloroethylene 770.57
    eugenol 239.8
    triacetin 353.63
    span 80 240.46
    1,4-butanediol 166.58
    1,1-dichloroethane 1042.32
    2-methyl-1-pentanol 202.93
    methyl formate 477.46
    2-methyl-1-butanol 357.46
    n-decane 8.31
    butyronitrile 445.33
    3,7-dimethyl-1-octanol 123.85
    1-chlorooctane 57.51
    1-chlorotetradecane 22.47
    n-nonane 7.12
    undecane 6.31
    tert-butylcyclohexane 22.1
    cyclooctane 16.41
    cyclopentanol 396.36
    tetrahydropyran 1198.93
    tert-amyl methyl ether 400.95
    2,5,8-trioxanonane 607.17
    1-hexene 89.53
    2-isopropoxyethanol 362.15
    2,2,2-trifluoroethanol 304.81
    methyl butyrate 330.87

    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