Isobornyl propionate

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  • Identifiers

    CAS number
    2756-56-1

    Molecular formula
    C13H22O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1381.0
    • Carbowax: 1676.0

  • Odor profile

    Woody 86.86%
    Herbal 80.66%
    Fruity 78.79%
    Pine 68.44%
    Camphoreous 62.4%
    Balsamic 61.79%
    Earthy 53.11%
    Spicy 48.68%
    Cedar 46.53%
    Mint 44.25%

    Scent© AI

  • Properties

    XLogP3-AA
    3.8

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point est.
    97.58 ˚C

    Solubility expt.

    • Soluble in water, oils
    • Soluble (in ethanol)

  • Synonyms

    • Isobornyl propanoate
    • Isobornyl propionate
    • 2756-56-1
    • Isoborneol, propionate
    • FEMA No. 2163
    • 2-Bornyl propionate, exo-
    • 7T3RQY66IC
    • 2-Camphanyl propionate, exo-
    • iso-Bornyl Propionate
    • Exo-2-Bornyl propionate
    • EINECS 220-410-5
    • NSC 67993
    • Exo-2-Camphanyl propionate
    • AI3-04363
    • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-
    • ISOBORNYL PROPIONATE [FHFI]
    • [(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] propanoate
    • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-
    • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-
    • NSC-67993
    • PROPIONIC ACID, ISOBORNYL ESTER
    • 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl propanoate, exo-
    • exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl propionate
    • Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl propionate
    • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, propanoate, (1R,2R,4R)-rel-
    • so-Bornyl n-propionate
    • iso-Bornyl n-propionate
    • Isoborneol, propionate (8CI)
    • UNII-7T3RQY66IC
    • DTXSID2042062
    • FEMA 2163
    • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-propanoate, (1R,2R,4R)-rel-
    • Isobornyl propionic acid
    • Bornyl (iso) propionate
    • 1,7,7-trimethylbicyclo(2.2.1)heptan-2-yl propanoate
    • Exo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl propanoate
    • 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL PROPANOATE
    • CHEMBL3187995
    • DTXCID0022062
    • FAFMZORPAAGQFV-BREBYQMCSA-N
    • (+/-)-ISOBORNYL PROPIONATE
    • Tox21_301344
    • ISOBORNYL PROPIONATE, (+/-)-
    • NCGC00255923-01
    • CAS-2756-56-1
    • Q27268818
    • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, propanoate, exo-(9CI)

  • Applications

    Isobornyl propionate (CAS 2756-56-1) is a fragrance ingredient with a camphoraceous, pine-woody, slightly fruity-sweet profile, used across fine fragrance, body sprays, scented candles, and personal care (soaps, shampoos, shower gels, lotions, deodorants), as well as in air care and household cleaners (laundry detergents, fabric softeners, hard-surface cleaners, floor care, kitchen and bathroom cleaners, room deodorizers, diffusers, gels), where it provides a green resinous woody background and acts as a fixative to enhance longevity on skin, textiles, and surfaces; its relatively high boiling point and moderate volatility deliver long-lasting lift, rounding and odor masking of technical notes (detergent, solvent), with good compatibility with terpenes, pine resinoids, citrus, white florals, ambers, and musks, and good stability in surfactant systems, mild alkali, and light; it is often used as a heavier, more substantive alternative to isobornyl acetate to boost clean woody-piney effects and as a fragrance carrier in deodorizing and fabric care formulas; usage should follow IFRA guidelines and a product-specific safety assessment.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1501.69
    methanol 1802.37
    isopropanol 1858.67
    water 60.23
    ethyl acetate 2067.0
    n-propanol 1371.09
    acetone 2595.27
    n-butanol 1166.79
    acetonitrile 2230.23
    DMF 3339.29
    toluene 1542.18
    isobutanol 1247.66
    1,4-dioxane 4283.95
    methyl acetate 2188.65
    THF 3414.78
    2-butanone 1934.95
    n-pentanol 725.27
    sec-butanol 1293.35
    n-hexane 100.22
    ethylene glycol 413.04
    NMP 1497.96
    cyclohexane 334.8
    DMSO 1339.83
    n-butyl acetate 1081.55
    n-octanol 430.12
    chloroform 5775.41
    n-propyl acetate 1147.39
    acetic acid 1316.04
    dichloromethane 4118.77
    cyclohexanone 2082.87
    propylene glycol 584.29
    isopropyl acetate 1632.82
    DMAc 2267.54
    2-ethoxyethanol 1213.18
    isopentanol 1149.13
    n-heptane 67.33
    ethyl formate 1504.39
    1,2-dichloroethane 2250.19
    n-hexanol 845.39
    2-methoxyethanol 2129.52
    isobutyl acetate 854.83
    tetrachloromethane 1225.56
    n-pentyl acetate 687.73
    transcutol 2399.49
    n-heptanol 465.96
    ethylbenzene 918.74
    MIBK 1062.87
    2-propoxyethanol 1503.25
    tert-butanol 2116.96
    MTBE 1992.59
    2-butoxyethanol 969.28
    propionic acid 1094.16
    o-xylene 1021.19
    formic acid 688.15
    diethyl ether 1368.87
    m-xylene 1097.71
    p-xylene 1752.44
    chlorobenzene 1882.76
    dimethyl carbonate 960.85
    n-octane 41.83
    formamide 1667.14
    cyclopentanone 2373.86
    2-pentanone 1333.06
    anisole 1765.54
    cyclopentyl methyl ether 1231.13
    gamma-butyrolactone 2638.65
    1-methoxy-2-propanol 1733.76
    pyridine 2897.35
    3-pentanone 1045.83
    furfural 2572.92
    n-dodecane 41.6
    diethylene glycol 1071.43
    diisopropyl ether 570.34
    tert-amyl alcohol 1374.96
    acetylacetone 2208.3
    n-hexadecane 50.19
    acetophenone 1379.27
    methyl propionate 1399.15
    isopentyl acetate 1129.96
    trichloroethylene 4474.45
    n-nonanol 409.85
    cyclohexanol 1035.48
    benzyl alcohol 1190.02
    2-ethylhexanol 462.51
    isooctanol 421.31
    dipropyl ether 500.79
    1,2-dichlorobenzene 1675.27
    ethyl lactate 478.56
    propylene carbonate 1747.26
    n-methylformamide 1890.44
    2-pentanol 865.99
    n-pentane 133.1
    1-propoxy-2-propanol 946.79
    1-methoxy-2-propyl acetate 1233.36
    2-(2-methoxypropoxy) propanol 779.79
    mesitylene 732.72
    ε-caprolactone 1780.2
    p-cymene 391.04
    epichlorohydrin 2848.8
    1,1,1-trichloroethane 3321.1
    2-aminoethanol 893.3
    morpholine-4-carbaldehyde 2362.24
    sulfolane 1698.22
    2,2,4-trimethylpentane 100.97
    2-methyltetrahydrofuran 2224.2
    n-hexyl acetate 937.42
    isooctane 91.96
    2-(2-butoxyethoxy)ethanol 1002.31
    sec-butyl acetate 910.88
    tert-butyl acetate 1481.05
    decalin 175.36
    glycerin 671.24
    diglyme 2127.45
    acrylic acid 991.55
    isopropyl myristate 399.02
    n-butyric acid 1437.52
    acetyl acetate 1714.49
    di(2-ethylhexyl) phthalate 385.4
    ethyl propionate 1009.73
    nitromethane 3097.88
    1,2-diethoxyethane 1087.13
    benzonitrile 1877.47
    trioctyl phosphate 257.1
    1-bromopropane 1108.1
    gamma-valerolactone 3269.46
    n-decanol 301.9
    triethyl phosphate 397.86
    4-methyl-2-pentanol 636.46
    propionitrile 1696.86
    vinylene carbonate 1953.31
    1,1,2-trichlorotrifluoroethane 1782.64
    DMS 1065.04
    cumene 601.77
    2-octanol 346.49
    2-hexanone 1028.75
    octyl acetate 474.17
    limonene 424.48
    1,2-dimethoxyethane 2558.9
    ethyl orthosilicate 398.19
    tributyl phosphate 319.78
    diacetone alcohol 1189.37
    N,N-dimethylaniline 1065.92
    acrylonitrile 2105.12
    aniline 1690.96
    1,3-propanediol 1230.14
    bromobenzene 2042.25
    dibromomethane 2451.09
    1,1,2,2-tetrachloroethane 3511.33
    2-methyl-cyclohexyl acetate 661.92
    tetrabutyl urea 369.88
    diisobutyl methanol 314.95
    2-phenylethanol 1123.2
    styrene 1110.96
    dioctyl adipate 500.48
    dimethyl sulfate 1113.21
    ethyl butyrate 816.28
    methyl lactate 730.86
    butyl lactate 540.21
    diethyl carbonate 673.15
    propanediol butyl ether 716.35
    triethyl orthoformate 581.02
    p-tert-butyltoluene 416.01
    methyl 4-tert-butylbenzoate 913.09
    morpholine 3541.13
    tert-butylamine 1427.71
    n-dodecanol 230.09
    dimethoxymethane 2059.55
    ethylene carbonate 1644.88
    cyrene 706.03
    2-ethoxyethyl acetate 977.58
    2-ethylhexyl acetate 817.64
    1,2,4-trichlorobenzene 1852.24
    4-methylpyridine 3007.7
    dibutyl ether 481.33
    2,6-dimethyl-4-heptanol 314.95
    DEF 1343.36
    dimethyl isosorbide 1268.34
    tetrachloroethylene 2497.98
    eugenol 897.12
    triacetin 938.57
    span 80 627.11
    1,4-butanediol 464.4
    1,1-dichloroethane 3000.19
    2-methyl-1-pentanol 690.13
    methyl formate 1545.69
    2-methyl-1-butanol 959.83
    n-decane 66.72
    butyronitrile 1523.69
    3,7-dimethyl-1-octanol 462.11
    1-chlorooctane 292.87
    1-chlorotetradecane 132.26
    n-nonane 58.13
    undecane 50.47
    tert-butylcyclohexane 159.09
    cyclooctane 108.23
    cyclopentanol 1210.15
    tetrahydropyran 2530.17
    tert-amyl methyl ether 1022.31
    2,5,8-trioxanonane 1260.48
    1-hexene 395.38
    2-isopropoxyethanol 906.84
    2,2,2-trifluoroethanol 916.6
    methyl butyrate 1282.59

    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
Chamomile, wild (Morocco) Ormenis mixta, fam. Asteraceae (Compositae) 0.3%
Strobilanthes auriculatus Strobilanthes auriculatus, fam. Acanthaceae 0.7%
Chenopodium ambrosioides Chenopodium ambrosioides L., fam. Chenopodiaceae 0.06%