Fenchyl acetate

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  • Identifiers

    CAS number
    13851-11-1

    Molecular formula
    C12H20O2

    SMILES
    CC(=O)OC1C(C2CCC1(C2)C)(C)C

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 1226.25
    • Carbowax: 1466.75

  • Odor profile

    Herbal 68.56%
    Woody 60.37%
    Pine 60.24%
    Sweet 55.87%
    Camphoreous 51.54%
    Fresh 51.32%
    Mint 44.56%
    Balsamic 43.76%
    Citrus 43.47%
    Fruity 42.86%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point est.
    99.41 ˚C

    Solubility expt.

    • Soluble in oils; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Fenchyl acetate
    • 13851-11-1
    • Fenchylacetate
    • 4057-31-2
    • 2-Norbornanol, 1,3,3-trimethyl-, acetate
    • alpha-Fenchyl acetate
    • FEMA No. 3390
    • 3,3-Dimethyl-8,9-dinorbornan-2-yl acetate
    • (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
    • I8JL13M20M
    • DTXSID2047197
    • 1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl acetate
    • NSC-404295
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate
    • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, 2-acetate
    • 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-yl acetate
    • 1,3,3-Trimethyl-2-norbornanyl acetate
    • UNII-I8JL13M20M
    • EINECS 237-588-5
    • NSC 404295
    • BRN 1867370
    • AI3-17540
    • EC 807-751-0
    • 2-06-00-00079 (Beilstein Handbook Reference)
    • (1R)-(+)-Fenchyl acetate
    • SCHEMBL184488
    • FENCHYL ACETATE [FHFI]
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethl-, acetate
    • CHEMBL3186375
    • DTXCID0027197
    • (+/-)-FENCHYL ACETATE
    • CHEBI:172037
    • Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, acetate, endo-
    • Tox21_302571
    • 1,3-Trimethyl-2-norbornanyl acetate
    • NSC404295
    • AKOS040751785
    • 2-Norbornanol,3,3-trimethyl-, acetate
    • NCGC00256782-01
    • WLN: L55 ATJ B1 COV1 D1 D1
    • CAS-13851-11-1
    • NS00003164
    • 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl acetate #
    • Bicyclo[2.2.1]heptan-2-ol,3,3-trimethyl-, acetate
    • Q27280577
    • Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, acetate, (1S-exo)-

  • Applications

    Fenchyl acetate, a mixture of α- and β-isomers (CAS 13851-11-1), is a minty-sweet woody monoterpene ester derived from essential oils such as rosemary, geranium and celery, and is widely used in flavour and fragrance industries: it serves as a middle-note modifier in fine perfumes, soaps, personal care formulations, scented candles, deodorising sprays and household cleaners; in food applications it is employed at trace levels as a natural flavouring that imparts fresh green-pine nuances to confectionery, non-alcoholic beverages, baked goods and chewing gum; in traditional medicine and aromatherapy it is valued for its relaxing, mildly anti-inflammatory and respiratory-supporting properties; furthermore, owing to its moderate volatility and surface activity, the compound functions as a carrier solvent in microencapsulated aroma systems, in odour-neutralising textile finishes and as a lacquer additive that delivers prolonged scent release while masking technical odours.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 611.08
    methanol 772.18
    isopropanol 879.84
    water 25.26
    ethyl acetate 727.62
    n-propanol 674.53
    acetone 1020.65
    n-butanol 639.57
    acetonitrile 865.64
    DMF 1389.1
    toluene 747.71
    isobutanol 652.08
    1,4-dioxane 1181.98
    methyl acetate 875.87
    THF 1588.02
    2-butanone 979.27
    n-pentanol 390.51
    sec-butanol 725.88
    n-hexane 61.78
    ethylene glycol 291.5
    NMP 877.53
    cyclohexane 127.02
    DMSO 588.84
    n-butyl acetate 566.83
    n-octanol 398.29
    chloroform 2456.8
    n-propyl acetate 444.03
    acetic acid 435.72
    dichloromethane 1730.1
    cyclohexanone 1061.93
    propylene glycol 439.79
    isopropyl acetate 591.83
    DMAc 1076.44
    2-ethoxyethanol 528.59
    isopentanol 572.84
    n-heptane 58.79
    ethyl formate 627.26
    1,2-dichloroethane 906.37
    n-hexanol 608.45
    2-methoxyethanol 937.14
    isobutyl acetate 390.78
    tetrachloromethane 502.84
    n-pentyl acetate 417.31
    transcutol 759.59
    n-heptanol 382.74
    ethylbenzene 421.35
    MIBK 539.34
    2-propoxyethanol 894.79
    tert-butanol 958.86
    MTBE 790.68
    2-butoxyethanol 571.13
    propionic acid 536.42
    o-xylene 530.05
    formic acid 245.74
    diethyl ether 529.19
    m-xylene 603.09
    p-xylene 662.77
    chlorobenzene 811.96
    dimethyl carbonate 411.99
    n-octane 41.49
    formamide 379.3
    cyclopentanone 1239.25
    2-pentanone 698.43
    anisole 715.54
    cyclopentyl methyl ether 693.93
    gamma-butyrolactone 1247.24
    1-methoxy-2-propanol 890.8
    pyridine 974.28
    3-pentanone 551.57
    furfural 1143.42
    n-dodecane 44.38
    diethylene glycol 647.7
    diisopropyl ether 269.61
    tert-amyl alcohol 710.64
    acetylacetone 859.08
    n-hexadecane 50.36
    acetophenone 612.93
    methyl propionate 625.86
    isopentyl acetate 594.15
    trichloroethylene 1851.92
    n-nonanol 335.6
    cyclohexanol 619.97
    benzyl alcohol 562.45
    2-ethylhexanol 357.07
    isooctanol 311.04
    dipropyl ether 298.43
    1,2-dichlorobenzene 729.78
    ethyl lactate 315.42
    propylene carbonate 903.82
    n-methylformamide 746.68
    2-pentanol 494.01
    n-pentane 79.56
    1-propoxy-2-propanol 632.74
    1-methoxy-2-propyl acetate 639.2
    2-(2-methoxypropoxy) propanol 454.6
    mesitylene 387.61
    ε-caprolactone 886.27
    p-cymene 293.72
    epichlorohydrin 1297.95
    1,1,1-trichloroethane 1277.32
    2-aminoethanol 478.28
    morpholine-4-carbaldehyde 1144.35
    sulfolane 971.72
    2,2,4-trimethylpentane 68.96
    2-methyltetrahydrofuran 1057.03
    n-hexyl acetate 608.45
    isooctane 65.21
    2-(2-butoxyethoxy)ethanol 504.94
    sec-butyl acetate 388.45
    tert-butyl acetate 600.57
    decalin 92.09
    glycerin 485.44
    diglyme 936.32
    acrylic acid 474.46
    isopropyl myristate 267.98
    n-butyric acid 646.49
    acetyl acetate 565.42
    di(2-ethylhexyl) phthalate 269.25
    ethyl propionate 431.04
    nitromethane 988.59
    1,2-diethoxyethane 427.04
    benzonitrile 781.18
    trioctyl phosphate 214.18
    1-bromopropane 626.6
    gamma-valerolactone 1444.9
    n-decanol 253.86
    triethyl phosphate 229.75
    4-methyl-2-pentanol 361.75
    propionitrile 728.3
    vinylene carbonate 915.32
    1,1,2-trichlorotrifluoroethane 850.98
    DMS 552.49
    cumene 323.13
    2-octanol 316.74
    2-hexanone 501.31
    octyl acetate 330.25
    limonene 322.63
    1,2-dimethoxyethane 856.13
    ethyl orthosilicate 219.98
    tributyl phosphate 226.31
    diacetone alcohol 603.46
    N,N-dimethylaniline 493.92
    acrylonitrile 884.76
    aniline 657.08
    1,3-propanediol 594.92
    bromobenzene 887.22
    dibromomethane 1112.91
    1,1,2,2-tetrachloroethane 1556.01
    2-methyl-cyclohexyl acetate 380.46
    tetrabutyl urea 272.05
    diisobutyl methanol 238.28
    2-phenylethanol 628.63
    styrene 452.04
    dioctyl adipate 307.18
    dimethyl sulfate 555.73
    ethyl butyrate 405.66
    methyl lactate 431.02
    butyl lactate 340.06
    diethyl carbonate 304.8
    propanediol butyl ether 491.36
    triethyl orthoformate 301.54
    p-tert-butyltoluene 307.95
    methyl 4-tert-butylbenzoate 550.65
    morpholine 1117.24
    tert-butylamine 652.75
    n-dodecanol 199.01
    dimethoxymethane 884.69
    ethylene carbonate 750.16
    cyrene 440.79
    2-ethoxyethyl acetate 489.33
    2-ethylhexyl acetate 451.95
    1,2,4-trichlorobenzene 842.99
    4-methylpyridine 1202.49
    dibutyl ether 283.58
    2,6-dimethyl-4-heptanol 238.28
    DEF 625.94
    dimethyl isosorbide 719.14
    tetrachloroethylene 986.17
    eugenol 498.33
    triacetin 480.96
    span 80 394.3
    1,4-butanediol 293.92
    1,1-dichloroethane 1308.7
    2-methyl-1-pentanol 375.5
    methyl formate 691.64
    2-methyl-1-butanol 521.38
    n-decane 64.99
    butyronitrile 722.47
    3,7-dimethyl-1-octanol 366.27
    1-chlorooctane 246.9
    1-chlorotetradecane 116.07
    n-nonane 60.66
    undecane 52.28
    tert-butylcyclohexane 100.54
    cyclooctane 60.46
    cyclopentanol 726.1
    tetrahydropyran 921.65
    tert-amyl methyl ether 529.82
    2,5,8-trioxanonane 610.47
    1-hexene 216.42
    2-isopropoxyethanol 446.75
    2,2,2-trifluoroethanol 368.7
    methyl butyrate 542.16

    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 (Comoro Islands) 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Cedarleaf 2 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.35%
Alpinia katsumadai stem (Vietnam) Alpinia katsumadai Hayata L., fam. Zingiberaceae 0.6%
Alpinia katsumadai leaf (Vietnam) Alpinia katsumadai Hayata L., fam. Zingiberaceae 0.4%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.04%
Basil (Turkey) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.17%
Basil (Madagascar) 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.32%
Boldo leaf (Italy) Boldea fragrans Juss. (Peumus boldus Mol.) 0.06%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Port Orford Cedarwood Chamaecyparis lawsoniana (A. Murray) Parl., fam. Cupressaceae 0.13%
Abies alba needle (Serbia) 8021-27-0 Abies alba Mill., fam. Pinaceae 14.2%
Abies cephalonica needle (Greece) Abies cephalonica Loud., fam. Pinaceae 1.8%
Abies borisii-regis needle (Greece) Abies borisii-regis Mattf., fam. Pinaceae 5.4%
Ocimum gratissimum (Benin) 2 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 1.0%
Hedychium coronarium rhizome (Mauritius) Hedychium coronarium Koenig, fam. Zingiberaceae 5.6%
Geranium phaeum (Serbia) Geranium phaeum L., fam. Geraniaceae 0.7%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0.1%
Elaeoselinum gummiferum Elaeoselinum gummiferum (Desf.) Tutin, fam. Apiaceae (Umbelliferae) 0.1%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.08%