Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)-

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  • Identifiers

    CAS number
    7492-41-3

    Molecular formula
    C11H18O2

    SMILES
    CC1(C2CCC1(C(C2)OC=O)C)C

    Retention indicies (RI)

    • DB5: 1227.0
    • Carbowax: 1589.0

  • Odor profile

    Woody 88.55%
    Herbal 80.26%
    Pine 70.77%
    Camphoreous 69.35%
    Balsamic 61.59%
    Green 59.38%
    Mint 52.83%
    Earthy 52.73%
    Spicy 50.32%
    Fresh 49.58%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 225.00 to 230.00 °C. @ 760.00 mm Hg

    Flash point est.
    78.62 ˚C

    Solubility expt.

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

  • Synonyms

    • Bornyl formate
    • Isobornyl formate
    • 7492-41-3
    • Borneol, formate
    • (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) formate
    • 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL FORMATE
    • 74219-20-8
    • 1,7,7-Trimethyl-formateendo-Bicyclo(2.2.1)heptan-2-ol
    • 1,7,7-Trimethyl-formateendo-Bicyclo[2.2.1]heptan-2-ol
    • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)-
    • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)-
    • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R,2R,4R)-rel-
    • Endoisobornylformate
    • Endo-2-Bornanyl formate
    • SCHEMBL309630
    • FEMA 2161
    • DTXSID30862597
    • AKOS017341556
    • DB-254096
    • 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl formate, exo-
    • Endo-1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl formate

  • Applications

    Applications of Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, formate, (1R-endo)- (CAS 7492-41-3) center on perfumery and flavor, where it serves as a fragrance ingredient with camphoraceous–piney–herbal facets and good substantivity to add freshness, lift, and depth to fine fragrances, deodorants, personal care, air care, household cleaners, and fabric care; at trace levels it supports minty/herbal flavor notes in seasonings, confectionery, chewing gum, and beverages; in organic synthesis the formate ester is a convenient precursor to (1R)-borneol/camphor via hydrolysis/oxidation and is used as a chiral pool building block from the pinane scaffold for stereodirected transformations; in R&D it functions as a sensory/GC reference, a model for ester hydrolysis kinetics, and a pro-fragrance/controlled-release substrate in consumer product matrices, with its (1R-endo) stereochemistry leveraged to tune odor character and reaction selectivity.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 946.52
    methanol 1111.29
    isopropanol 950.58
    water 33.33
    ethyl acetate 2376.62
    n-propanol 864.78
    acetone 2530.13
    n-butanol 664.94
    acetonitrile 2352.29
    DMF 3072.4
    toluene 758.78
    isobutanol 686.67
    1,4-dioxane 3075.08
    methyl acetate 2618.24
    THF 3681.32
    2-butanone 1969.38
    n-pentanol 332.16
    sec-butanol 685.65
    n-hexane 33.24
    ethylene glycol 470.85
    NMP 1559.98
    cyclohexane 103.75
    DMSO 1833.87
    n-butyl acetate 814.26
    n-octanol 186.89
    chloroform 4590.47
    n-propyl acetate 919.14
    acetic acid 1026.3
    dichloromethane 4215.38
    cyclohexanone 1664.57
    propylene glycol 469.18
    isopropyl acetate 1504.57
    DMAc 1857.26
    2-ethoxyethanol 913.21
    isopentanol 608.58
    n-heptane 35.26
    ethyl formate 1408.44
    1,2-dichloroethane 2816.06
    n-hexanol 452.46
    2-methoxyethanol 1998.99
    isobutyl acetate 563.65
    tetrachloromethane 770.98
    n-pentyl acetate 440.47
    transcutol 1964.4
    n-heptanol 217.39
    ethylbenzene 381.89
    MIBK 927.17
    2-propoxyethanol 1233.93
    tert-butanol 1196.6
    MTBE 1173.09
    2-butoxyethanol 594.66
    propionic acid 1126.51
    o-xylene 509.49
    formic acid 706.09
    diethyl ether 1046.98
    m-xylene 587.6
    p-xylene 728.07
    chlorobenzene 1379.14
    dimethyl carbonate 1175.98
    n-octane 19.68
    formamide 1834.44
    cyclopentanone 2725.39
    2-pentanone 1318.28
    anisole 1100.33
    cyclopentyl methyl ether 1125.78
    gamma-butyrolactone 3592.25
    1-methoxy-2-propanol 1599.02
    pyridine 2145.38
    3-pentanone 1121.61
    furfural 2543.59
    n-dodecane 18.74
    diethylene glycol 1092.61
    diisopropyl ether 400.19
    tert-amyl alcohol 762.43
    acetylacetone 2256.05
    n-hexadecane 22.58
    acetophenone 920.37
    methyl propionate 1816.34
    isopentyl acetate 761.01
    trichloroethylene 4953.03
    n-nonanol 180.88
    cyclohexanol 568.85
    benzyl alcohol 681.08
    2-ethylhexanol 256.31
    isooctanol 191.7
    dipropyl ether 388.04
    1,2-dichlorobenzene 1308.48
    ethyl lactate 446.82
    propylene carbonate 1900.11
    n-methylformamide 2278.18
    2-pentanol 482.71
    n-pentane 49.3
    1-propoxy-2-propanol 734.1
    1-methoxy-2-propyl acetate 1203.0
    2-(2-methoxypropoxy) propanol 556.87
    mesitylene 381.78
    ε-caprolactone 1583.8
    p-cymene 228.91
    epichlorohydrin 4180.98
    1,1,1-trichloroethane 2945.37
    2-aminoethanol 728.66
    morpholine-4-carbaldehyde 2180.57
    sulfolane 2369.41
    2,2,4-trimethylpentane 40.78
    2-methyltetrahydrofuran 2030.38
    n-hexyl acetate 555.12
    isooctane 39.37
    2-(2-butoxyethoxy)ethanol 704.43
    sec-butyl acetate 699.68
    tert-butyl acetate 1449.43
    decalin 66.03
    glycerin 628.36
    diglyme 1608.53
    acrylic acid 1042.67
    isopropyl myristate 242.43
    n-butyric acid 1194.46
    acetyl acetate 1740.93
    di(2-ethylhexyl) phthalate 229.82
    ethyl propionate 972.58
    nitromethane 3687.92
    1,2-diethoxyethane 845.8
    benzonitrile 1059.5
    trioctyl phosphate 165.18
    1-bromopropane 992.89
    gamma-valerolactone 3118.81
    n-decanol 144.69
    triethyl phosphate 303.2
    4-methyl-2-pentanol 357.12
    propionitrile 1497.59
    vinylene carbonate 1860.01
    1,1,2-trichlorotrifluoroethane 1743.62
    DMS 976.6
    cumene 265.91
    2-octanol 149.13
    2-hexanone 702.27
    octyl acetate 290.07
    limonene 260.36
    1,2-dimethoxyethane 1584.89
    ethyl orthosilicate 281.45
    tributyl phosphate 212.2
    diacetone alcohol 1204.67
    N,N-dimethylaniline 588.28
    acrylonitrile 2088.48
    aniline 1021.71
    1,3-propanediol 1033.55
    bromobenzene 1471.01
    dibromomethane 2174.17
    1,1,2,2-tetrachloroethane 3417.95
    2-methyl-cyclohexyl acetate 447.31
    tetrabutyl urea 240.49
    diisobutyl methanol 190.67
    2-phenylethanol 723.0
    styrene 488.72
    dioctyl adipate 327.28
    dimethyl sulfate 1522.4
    ethyl butyrate 621.61
    methyl lactate 865.53
    butyl lactate 362.95
    diethyl carbonate 518.83
    propanediol butyl ether 409.13
    triethyl orthoformate 395.43
    p-tert-butyltoluene 235.78
    methyl 4-tert-butylbenzoate 637.67
    morpholine 2493.02
    tert-butylamine 694.5
    n-dodecanol 113.12
    dimethoxymethane 2054.2
    ethylene carbonate 1590.01
    cyrene 584.19
    2-ethoxyethyl acetate 828.47
    2-ethylhexyl acetate 534.52
    1,2,4-trichlorobenzene 1422.6
    4-methylpyridine 1809.19
    dibutyl ether 241.69
    2,6-dimethyl-4-heptanol 190.67
    DEF 1263.44
    dimethyl isosorbide 1099.06
    tetrachloroethylene 2148.19
    eugenol 592.47
    triacetin 674.55
    span 80 408.04
    1,4-butanediol 336.63
    1,1-dichloroethane 2943.89
    2-methyl-1-pentanol 301.58
    methyl formate 1907.39
    2-methyl-1-butanol 510.25
    n-decane 28.93
    butyronitrile 1162.57
    3,7-dimethyl-1-octanol 227.9
    1-chlorooctane 153.5
    1-chlorotetradecane 71.76
    n-nonane 24.32
    undecane 22.88
    tert-butylcyclohexane 56.87
    cyclooctane 38.71
    cyclopentanol 869.18
    tetrahydropyran 1701.85
    tert-amyl methyl ether 660.31
    2,5,8-trioxanonane 958.18
    1-hexene 156.97
    2-isopropoxyethanol 648.35
    2,2,2-trifluoroethanol 968.53
    methyl butyrate 1109.83

    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
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 1.7%
Eucalyptus botryoides (Uruguay) Eucalyptus botryoides Sm., fam. Myrtaceae 0.6%
Ageratum conyzoides (Ghana) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.19%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 0.96%
Origanum solymicum (Turkey) Origanum solymicum P.H. Davis, fam. Lamiaceae (Labiatae) 0.07%
Eucalyptus tereticornis (China) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.21%
Rosemary (Turkey) 4 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.32%
Ageratum houstonianum (India) Ageratum houstonianum Mill., fam. Asteraceae (Compositae) 0.01%
Ageratum conyzoides flower (Pakistan) Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.05%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.1%
Inula viscosa (Turkey) Inula viscosa (L.) Aiton (Dittrichia viscosa (L.) Greuter), fam.Asteraceae 0.1%
Spike lavender (Spain) 5 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.11%
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Achillea biebersteinii (Iran) flower Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 0.8%
Achillea filipendulina (Iran) flower Achillea filipendulina Lam., fam. Asteraceae (Compositae) 0.5%
Achillea tenuifolia (Iran) flower Achillea tenuifolia Lam., fam. Asteraceae (Compositae) 0.1%
Seafennel (Turkey) 2 89997-98-8 Crithmum maritimum L., fam. Apiaceae (Umbelliferae) 0.01%
Thymus fedtschenkoi var. handelii (Turkey) Thymus fedtschenkoi var. handelii, fam. Lamiaceae (Labiatae) 0.5%
Croton zambesicus (Cameroon) 1a leaf Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.01%
Croton zambesicus (Cameroon) 1b root bark Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.2%
Croton zambesicus (Cameroon) 1c stem bark Croton zambesicus Muell. Arg., fam. Euphorbiaceae 0.3%
Thymus pubescens (Iran) 2 Thymus pubescens Boiss. et Kotschy ex Celak, fam. Lamiaceae (Labiatae) 1.3%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Lavender (Bulgaria) 2 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Lavender (Ukraine) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.06%
Lavender (Australia) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%
Lavender (Moldova) 8000-28-0 Lavandula angustifolia Mill., (L. officinalis Chaix), fam. Lamiaceae 0.01%