Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate

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  • Identifiers

    CAS number
    125-12-2

    Molecular formula
    C12H20O2

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

    Retention indicies (RI)

    • DB5: 1285.5
    • Carbowax: 1572.0

  • Odor profile

    Woody 87.44%
    Herbal 84.43%
    Fruity 75.19%
    Pine 71.91%
    Camphoreous 67.02%
    Balsamic 64.18%
    Spicy 56.14%
    Earthy 55.11%
    Fresh 54.23%
    Sweet 52.38%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    231°C

    Flash point est.
    89.86 ˚C

  • Synonyms

    • Isobornyl acetate
    • 125-12-2
    • Pichtosin
    • [(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
    • DTXSID7042061
    • exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate
    • MFCD00135943
    • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-
    • exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate
    • ((1S,2S,4S)-1,7,7-trimethyl-2-bicyclo(2.2.1)heptanyl) acetate
    • Isobornyl acetate, >=95%
    • Isobornyl acetate, tech grade
    • Isobornyl acetate; NSC 62486; Pichtosine; exo-Bornyl acetate
    • (1S)-2-exo-acetoxy-bornane
    • SCHEMBL117759
    • ( not+/-)-Isobornyl acetate
    • KGEKLUUHTZCSIP-JBLDHEPKSA-N
    • DTXCID501011801
    • HY-N2583
    • Tox21_303558
    • AKOS006281613
    • NCGC00257423-01
    • CAS-125-12-2
    • CS-0022924
    • NS00079178

  • Applications

    Exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate (CAS 125-12-2), commonly known as isobornyl acetate, is a monoterpene ester with a pleasant pine–camphor odor widely used as a fragrance ingredient and fixative in perfumes, soaps, detergents, deodorizers, air fresheners and candles; as a food flavoring at very low levels to impart herbal–balsamic notes to confectionery, chewing gum and beverages; as a high-boiling solvent and coalescent/cosolvent in paints, printing inks, nitrocellulose lacquers, alkyd resins and adhesives, where its good solvency and slow evaporation improve flow and film formation; as a mild plasticizer and fragrance carrier in polymers; as a key intermediate in the camphor process (hydrolysis to isoborneol followed by oxidation) and in making isobornyl acrylate/methacrylate monomers for UV-cure coatings; and it is also used in odor-control, automotive care and household products due to its favorable safety profile, biodegradability and light deodorizing effect.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1037.12
    methanol 1436.73
    isopropanol 1400.96
    water 67.7
    ethyl acetate 1493.57
    n-propanol 1026.68
    acetone 2235.45
    n-butanol 780.35
    acetonitrile 2413.69
    DMF 3301.14
    toluene 1077.69
    isobutanol 922.42
    1,4-dioxane 3038.99
    methyl acetate 1910.42
    THF 2896.47
    2-butanone 1618.94
    n-pentanol 498.63
    sec-butanol 967.85
    n-hexane 67.33
    ethylene glycol 460.81
    NMP 1483.94
    cyclohexane 213.27
    DMSO 1380.12
    n-butyl acetate 722.67
    n-octanol 353.74
    chloroform 4583.68
    n-propyl acetate 759.3
    acetic acid 951.73
    dichloromethane 3491.79
    cyclohexanone 1658.48
    propylene glycol 707.0
    isopropyl acetate 987.18
    DMAc 1974.89
    2-ethoxyethanol 838.88
    isopentanol 747.37
    n-heptane 58.37
    ethyl formate 1187.28
    1,2-dichloroethane 1844.6
    n-hexanol 635.71
    2-methoxyethanol 1789.25
    isobutyl acetate 520.44
    tetrachloromethane 894.06
    n-pentyl acetate 455.2
    transcutol 1409.37
    n-heptanol 362.35
    ethylbenzene 596.52
    MIBK 739.46
    2-propoxyethanol 1208.22
    tert-butanol 1546.22
    MTBE 1207.22
    2-butoxyethanol 715.03
    propionic acid 916.06
    o-xylene 768.79
    formic acid 554.74
    diethyl ether 866.85
    m-xylene 790.91
    p-xylene 1190.19
    chlorobenzene 1407.74
    dimethyl carbonate 837.62
    n-octane 36.89
    formamide 1396.47
    cyclopentanone 2140.43
    2-pentanone 1018.22
    anisole 1245.88
    cyclopentyl methyl ether 933.34
    gamma-butyrolactone 2349.67
    1-methoxy-2-propanol 1547.3
    pyridine 2169.62
    3-pentanone 851.86
    furfural 2201.53
    n-dodecane 39.29
    diethylene glycol 952.81
    diisopropyl ether 340.55
    tert-amyl alcohol 1054.82
    acetylacetone 1650.24
    n-hexadecane 46.49
    acetophenone 973.12
    methyl propionate 1161.82
    isopentyl acetate 692.91
    trichloroethylene 3415.08
    n-nonanol 328.56
    cyclohexanol 803.48
    benzyl alcohol 872.46
    2-ethylhexanol 355.55
    isooctanol 297.91
    dipropyl ether 379.6
    1,2-dichlorobenzene 1200.69
    ethyl lactate 425.29
    propylene carbonate 1418.87
    n-methylformamide 1892.24
    2-pentanol 604.83
    n-pentane 93.32
    1-propoxy-2-propanol 778.01
    1-methoxy-2-propyl acetate 912.5
    2-(2-methoxypropoxy) propanol 596.71
    mesitylene 497.23
    ε-caprolactone 1340.24
    p-cymene 314.62
    epichlorohydrin 2432.72
    1,1,1-trichloroethane 2566.6
    2-aminoethanol 838.39
    morpholine-4-carbaldehyde 2182.98
    sulfolane 1672.26
    2,2,4-trimethylpentane 69.77
    2-methyltetrahydrofuran 1656.06
    n-hexyl acetate 637.83
    isooctane 60.64
    2-(2-butoxyethoxy)ethanol 740.1
    sec-butyl acetate 547.67
    tert-butyl acetate 920.96
    decalin 117.63
    glycerin 702.75
    diglyme 1544.53
    acrylic acid 873.84
    isopropyl myristate 297.18
    n-butyric acid 1013.48
    acetyl acetate 1223.22
    di(2-ethylhexyl) phthalate 306.17
    ethyl propionate 711.87
    nitromethane 2835.18
    1,2-diethoxyethane 666.32
    benzonitrile 1359.21
    trioctyl phosphate 208.94
    1-bromopropane 914.17
    gamma-valerolactone 2767.58
    n-decanol 253.62
    triethyl phosphate 307.42
    4-methyl-2-pentanol 420.67
    propionitrile 1550.76
    vinylene carbonate 1635.47
    1,1,2-trichlorotrifluoroethane 1550.52
    DMS 794.34
    cumene 409.19
    2-octanol 277.4
    2-hexanone 726.29
    octyl acetate 357.33
    limonene 348.42
    1,2-dimethoxyethane 1666.06
    ethyl orthosilicate 281.55
    tributyl phosphate 244.03
    diacetone alcohol 891.74
    N,N-dimethylaniline 787.33
    acrylonitrile 2043.39
    aniline 1265.2
    1,3-propanediol 1000.7
    bromobenzene 1516.57
    dibromomethane 2024.41
    1,1,2,2-tetrachloroethane 2704.13
    2-methyl-cyclohexyl acetate 492.65
    tetrabutyl urea 305.82
    diisobutyl methanol 230.76
    2-phenylethanol 862.59
    styrene 711.09
    dioctyl adipate 376.89
    dimethyl sulfate 1087.46
    ethyl butyrate 579.37
    methyl lactate 741.43
    butyl lactate 405.1
    diethyl carbonate 489.72
    propanediol butyl ether 588.4
    triethyl orthoformate 404.12
    p-tert-butyltoluene 327.82
    methyl 4-tert-butylbenzoate 711.53
    morpholine 2622.69
    tert-butylamine 1021.29
    n-dodecanol 196.47
    dimethoxymethane 1766.97
    ethylene carbonate 1331.39
    cyrene 626.39
    2-ethoxyethyl acetate 661.56
    2-ethylhexyl acetate 505.8
    1,2,4-trichlorobenzene 1361.62
    4-methylpyridine 2153.86
    dibutyl ether 341.63
    2,6-dimethyl-4-heptanol 230.76
    DEF 1032.23
    dimethyl isosorbide 1026.98
    tetrachloroethylene 1693.01
    eugenol 700.68
    triacetin 713.03
    span 80 521.19
    1,4-butanediol 414.97
    1,1-dichloroethane 2487.0
    2-methyl-1-pentanol 441.99
    methyl formate 1662.97
    2-methyl-1-butanol 676.76
    n-decane 58.68
    butyronitrile 1184.77
    3,7-dimethyl-1-octanol 342.8
    1-chlorooctane 238.04
    1-chlorotetradecane 111.75
    n-nonane 51.83
    undecane 46.91
    tert-butylcyclohexane 106.51
    cyclooctane 69.88
    cyclopentanol 1050.02
    tetrahydropyran 1747.48
    tert-amyl methyl ether 679.07
    2,5,8-trioxanonane 967.52
    1-hexene 271.2
    2-isopropoxyethanol 631.16
    2,2,2-trifluoroethanol 782.1
    methyl butyrate 909.03

    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
Basil (Finland) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.13%
Basil (India), herb 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.04%
Basil (India), flower 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.66%
Basil (India), whole plant 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.03%
Basil 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.07%
Spike lavender (Spain) 3 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.1%
Ocimum canum (camphor-type) 2 Ocimum canum Sims., fam. Lamiaceae (Labiatae) 0.41%
Ocimum canum (camphor-type) 1 Ocimum canum Sims., fam. Lamiaceae (Labiatae) 0.14%
Rosemary (Spain) 3 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Sage, spanish (Spain) 3 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 0.1%
Spike lavender (Spain) 4 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.2%
Basil (India) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Sage, dalmatian (Yugoslavia) 2 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 3.39%
Lavandin (Italy) 1 (Grosso) 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.01%
Cypress (Algeria) 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 0.01%
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 1.16%
Torreya taxifolia Torreya taxifolia Arnott, fam. Taxaceae 0.23%
Chenopodium ambrosioides Chenopodium ambrosioides L., fam. Chenopodiaceae 0.2%
Curcuma pierreana (Vietnam), 1a rhizome Curcuma pierreana Gagnep., fam. Zingiberaceae 18.8%
Curcuma pierreana (Vietnam), 1b stem Curcuma pierreana Gagnep., fam. Zingiberaceae 14.4%
Curcuma pierreana (Vietnam), 1c leaf Curcuma pierreana Gagnep., fam. Zingiberaceae 6.4%
Micromeria carminea (Turkey) Micromeria carminea P.H. Davis (syn.M.cristata), fam. Lamiaceae (Labiatae) 0.1%
Origanum micranthum (Turkey) Origanum micranthum Vogel, fam. Lamiaceae (Labiatae) 0.45%
Salvia syriaca (Turkey) Salvia syriaca L., fam. Lamiaceae (Labiatea) 0.34%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.5%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.9%
Inula viscosa (Turkey) Inula viscosa (L.) Aiton (Dittrichia viscosa (L.) Greuter), fam.Asteraceae 11.4%
Ginger (Australia) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.1%
Santolina chamaecyparisus ssp. squarrosa Santolina chamaecyparisus L. ssp. squarrosa, fam. Asteraceae (Compositae) 0.6%
Thyme red (Spain) 5a 8007-46-3 Thymus zygis L. ssp. sylvestris (Hoffm. et Link) Morales, fam. Lamiaceae 1.04%
Thyme red (Spain) 5b 8007-46-3 Thymus vulgaris L., ssp. gracilis, fam. Lamiaceae (Labiatae) 1.17%
Tagetes (Cameroon) 1a leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.4%
Tagetes (Cameroon) 1b flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Sage, dalmatian (France) 2 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Sage, dalmatian (Portugal) 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Sage, dalmatian (Romania) 2 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.2%
Sage, dalmatian (Czech Republic) 8016-20-4 Salvia officinalis L., fam. Lamiaceae (Labiatae) 0.01%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Mullilam seed (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%
Alpinia laosensis (Vietnam) Alpinia laosensis Gagnep., fam. Zingiberaceae 0.4%
Tagetes (Zimbabwe) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.5%
Rosemary (Chile) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 3.48%
Tarragon (Japan) 1 8016-88-4 Artemisia dracunculus L. (French type), fam. Asteraceae (Compositae) 0.14%
Tarragon (Poland) 1 8016-88-4 Artemisia dracunculus L. (Russian type), fam. Asteraceae (Compositae) 2.55%
Eucalyptus globulus (Italy) 1a hydrodistiled 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.3%
Eucalyptus globulus (Italy) 1b CO2-extract 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.2%
Sage, dalmatian (Egypt) 2a 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 2.2%
Turmeric (India) 5b leaf 8024-37-1 Curcuma longa L., cv. Roma (C. domestica Val.), fam. Zingiberaceae 0.2%
Cinnamon fruit (India) 2 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.1%