Propanoic acid, 2-methyl-, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester

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  • Identifiers

    CAS number
    67845-32-3

    Molecular formula
    C14H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.9%
    Herbal 54.83%
    Fruity 52.13%
    Pine 48.11%
    Camphoreous 41.19%
    Balsamic 38.75%
    Earthy 35.68%
    Sweet 34.11%
    Dry 33.95%
    Spicy 33.42%

     

    Flavor
    Woody 61.62%
    Herbal 51.66%
    Sweet 51.48%
    Pine 44.79%
    Camphor 44.58%
    Citrus 36.29%
    Green 34.17%
    Bitter 33.35%
    Balsam 30.83%
    Fruity 29.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.67 (neutral)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 106.72 ˚C est.

  • Synonyms

    • 1,3,3-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate
    • DTXSID10886933
    • Isobutyric acid, 1,3,3-trimethylbicyclo(2.2.1)hept-2-yl ester
    • Propanoic acid, 2-methyl-, 1,3,3-trimethylbicyclo(2.2.1)hept-2-yl ester
    • Propanoic acid, 2-methyl-, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester
    • 1,3,3-Trimethylbicyclo[2.2.1]hept-2-yl isobutyrate
    • RefChem:869281
    • DTXCID801026249
    • 67845-32-3
    • SCHEMBL3275189
    • GNEDPOFWFUPIPQ-UHFFFAOYSA-N
    • 1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 2-METHYLPROPANOATE
    • 67845-32-3

  • Applications

    Propanoic acid, 2-methyl-, 1,3,3-trimethylbicyclo[2.2.1]hept-2-yl ester (CAS 67845-32-3) is used in fragrance formulations as a fixative and odorant; in cosmetics and personal care as a fragrance ingredient; in household products and air fresheners as a fragrance additive; and in industrial manufacturing as a solvent/vehicle for fragrance oils in coatings, inks, and cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 622.55
    methanol 609.03
    isopropanol 627.79
    water 11.54
    ethyl acetate 476.99
    n-propanol 564.15
    acetone 483.62
    n-butanol 534.97
    acetonitrile 421.23
    DMF 591.47
    toluene 716.5
    isobutanol 515.98
    1,4-dioxane 912.66
    methyl acetate 504.34
    THF 1161.84
    2-butanone 649.88
    n-pentanol 437.94
    sec-butanol 593.13
    n-hexane 68.04
    ethylene glycol 117.96
    NMP 579.53
    cyclohexane 124.97
    DMSO 267.44
    n-butyl acetate 649.94
    n-octanol 352.62
    chloroform 2000.83
    n-propyl acetate 436.37
    acetic acid 458.53
    dichloromethane 1281.1
    cyclohexanone 776.81
    propylene glycol 206.53
    isopropyl acetate 439.29
    DMAc 611.37
    2-ethoxyethanol 491.31
    isopentanol 557.3
    n-heptane 59.86
    ethyl formate 435.16
    1,2-dichloroethane 554.92
    n-hexanol 589.39
    2-methoxyethanol 647.04
    isobutyl acetate 414.46
    tetrachloromethane 427.58
    n-pentyl acetate 452.32
    transcutol 903.4
    n-heptanol 404.74
    ethylbenzene 512.08
    MIBK 383.88
    2-propoxyethanol 667.61
    tert-butanol 613.2
    MTBE 605.05
    2-butoxyethanol 558.05
    propionic acid 371.15
    o-xylene 468.42
    formic acid 217.09
    diethyl ether 380.14
    m-xylene 517.94
    p-xylene 802.18
    chlorobenzene 692.4
    dimethyl carbonate 205.9
    n-octane 42.37
    formamide 329.15
    cyclopentanone 758.2
    2-pentanone 452.0
    anisole 639.58
    cyclopentyl methyl ether 473.63
    gamma-butyrolactone 820.01
    1-methoxy-2-propanol 548.22
    pyridine 979.59
    3-pentanone 336.96
    furfural 919.86
    n-dodecane 39.0
    diethylene glycol 415.64
    diisopropyl ether 197.89
    tert-amyl alcohol 570.43
    acetylacetone 517.38
    n-hexadecane 45.14
    acetophenone 585.28
    methyl propionate 362.29
    isopentyl acetate 747.67
    trichloroethylene 1325.05
    n-nonanol 323.07
    cyclohexanol 456.46
    benzyl alcohol 580.84
    2-ethylhexanol 413.56
    isooctanol 363.43
    dipropyl ether 255.79
    1,2-dichlorobenzene 605.6
    ethyl lactate 235.09
    propylene carbonate 634.47
    n-methylformamide 386.17
    2-pentanol 410.36
    n-pentane 72.24
    1-propoxy-2-propanol 535.24
    1-methoxy-2-propyl acetate 527.8
    2-(2-methoxypropoxy) propanol 448.47
    mesitylene 335.68
    ε-caprolactone 760.64
    p-cymene 309.33
    epichlorohydrin 869.72
    1,1,1-trichloroethane 863.0
    2-aminoethanol 307.86
    morpholine-4-carbaldehyde 769.23
    sulfolane 538.13
    2,2,4-trimethylpentane 72.96
    2-methyltetrahydrofuran 840.83
    n-hexyl acetate 577.31
    isooctane 63.33
    2-(2-butoxyethoxy)ethanol 518.33
    sec-butyl acetate 398.53
    tert-butyl acetate 451.7
    decalin 102.18
    glycerin 226.33
    diglyme 834.29
    acrylic acid 326.81
    isopropyl myristate 257.15
    n-butyric acid 533.5
    acetyl acetate 386.3
    di(2-ethylhexyl) phthalate 273.74
    ethyl propionate 340.46
    nitromethane 562.34
    1,2-diethoxyethane 440.36
    benzonitrile 783.25
    trioctyl phosphate 194.04
    1-bromopropane 453.75
    gamma-valerolactone 1056.37
    n-decanol 239.23
    triethyl phosphate 209.61
    4-methyl-2-pentanol 330.86
    propionitrile 499.3
    vinylene carbonate 690.05
    1,1,2-trichlorotrifluoroethane 600.94
    DMS 358.15
    cumene 361.9
    2-octanol 304.35
    2-hexanone 461.6
    octyl acetate 318.89
    limonene 318.41
    1,2-dimethoxyethane 782.87
    ethyl orthosilicate 227.33
    tributyl phosphate 214.26
    diacetone alcohol 435.75
    N,N-dimethylaniline 454.05
    acrylonitrile 538.61
    aniline 590.24
    1,3-propanediol 427.4
    bromobenzene 766.51
    dibromomethane 891.04
    1,1,2,2-tetrachloroethane 1040.17
    2-methyl-cyclohexyl acetate 441.4
    tetrabutyl urea 235.31
    diisobutyl methanol 243.06
    2-phenylethanol 639.15
    styrene 534.63
    dioctyl adipate 318.75
    dimethyl sulfate 219.73
    ethyl butyrate 406.41
    methyl lactate 214.45
    butyl lactate 341.28
    diethyl carbonate 315.2
    propanediol butyl ether 433.43
    triethyl orthoformate 324.25
    p-tert-butyltoluene 303.6
    methyl 4-tert-butylbenzoate 464.47
    morpholine 900.32
    tert-butylamine 471.26
    n-dodecanol 185.07
    dimethoxymethane 448.23
    ethylene carbonate 530.27
    cyrene 398.8
    2-ethoxyethyl acetate 494.37
    2-ethylhexyl acetate 583.76
    1,2,4-trichlorobenzene 674.88
    4-methylpyridine 1131.26
    dibutyl ether 278.6
    2,6-dimethyl-4-heptanol 243.06
    DEF 431.82
    dimethyl isosorbide 646.46
    tetrachloroethylene 704.53
    eugenol 485.94
    triacetin 417.06
    span 80 397.98
    1,4-butanediol 218.99
    1,1-dichloroethane 814.8
    2-methyl-1-pentanol 505.93
    methyl formate 328.67
    2-methyl-1-butanol 521.9
    n-decane 62.02
    butyronitrile 555.3
    3,7-dimethyl-1-octanol 384.46
    1-chlorooctane 219.0
    1-chlorotetradecane 101.12
    n-nonane 55.34
    undecane 47.83
    tert-butylcyclohexane 109.68
    cyclooctane 53.76
    cyclopentanol 472.02
    tetrahydropyran 764.01
    tert-amyl methyl ether 404.83
    2,5,8-trioxanonane 549.46
    1-hexene 252.33
    2-isopropoxyethanol 413.27
    2,2,2-trifluoroethanol 242.81
    methyl butyrate 488.43

    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