Myrtenyl isovalerate

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  • Identifiers

    CAS number
    33900-84-4

    Molecular formula
    C15H24O2

    SMILES
    CC(C)CC(=O)OCC1=CCC2CC1C2(C)C

  • Odor profile

    Fragrance
    Fruity 87.47%
    Herbal 81.77%
    Woody 71.62%
    Pine 52.01%
    Balsamic 47.85%
    Mint 46.59%
    Sweet 45.27%
    Spicy 44.38%
    Camphoreous 38.46%
    Cooling 34.01%

     

    Flavor
    Bitter 38.34%
    Herbal 32.78%
    Woody 29.37%
    Pine 26.79%
    Balsam 25.39%
    Sweet 25.18%
    Fruity 22.99%
    Camphor 22.49%
    Old wood 21.51%
    Genet 21.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.06 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 117.79 ˚C est.

  • Synonyms

    • Myrtenyl isovalerate
    • (-)-Myrtenyl isovalerate
    • DTXSID101020145
    • 33900-84-4
    • (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 3-methylbutanoate
    • (6,6-dimethyl-2-bicyclo(3.1.1)hept-2-enyl)methyl 3-methylbutanoate
    • (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 3-methylbutanoate
    • {6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl 3-methylbutanoate
    • SCHEMBL19919382
    • CHEBI:173710
    • TVGPYTOYKLZBPA-UHFFFAOYSA-N
    • DTXCID401477989
    • 2-Pinen-10-ol, isovalerate (8CI)
    • NS00125512
    • Q67880012
    • Butanoic acid, 3-methyl-, (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl ester

  • Applications

    Myrtenyl isovalerate (CAS 33900-84-4) is used mainly as a fragrance ingredient and a fixative to extend scent in perfumery, where it helps impart a herbal-fruity note; it also functions as a fragrance component in cosmetics and personal care products, and as a scent additive in household products such as air fresheners and cleaners; it can be an intermediate in industrial fragrance synthesis for formulating scent systems; and it may be evaluated for use in flavor formulations where permitted. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 998.45
    methanol 728.5
    isopropanol 967.83
    water 1.75
    ethyl acetate 1406.61
    n-propanol 919.06
    acetone 1243.12
    n-butanol 917.32
    acetonitrile 924.25
    DMF 1243.11
    toluene 754.94
    isobutanol 759.99
    1,4-dioxane 2006.32
    methyl acetate 1036.34
    THF 2265.37
    2-butanone 1093.19
    n-pentanol 504.45
    sec-butanol 778.29
    n-hexane 112.47
    ethylene glycol 159.74
    NMP 816.44
    cyclohexane 221.68
    DMSO 689.92
    n-butyl acetate 927.95
    n-octanol 306.31
    chloroform 3331.89
    n-propyl acetate 677.21
    acetic acid 874.55
    dichloromethane 2197.91
    cyclohexanone 1210.32
    propylene glycol 306.07
    isopropyl acetate 1022.19
    DMAc 958.76
    2-ethoxyethanol 715.38
    isopentanol 879.32
    n-heptane 50.24
    ethyl formate 548.2
    1,2-dichloroethane 1709.47
    n-hexanol 764.61
    2-methoxyethanol 1193.38
    isobutyl acetate 477.72
    tetrachloromethane 420.78
    n-pentyl acetate 492.53
    transcutol 3308.1
    n-heptanol 318.29
    ethylbenzene 385.63
    MIBK 729.93
    2-propoxyethanol 1218.02
    tert-butanol 1102.93
    MTBE 1354.91
    2-butoxyethanol 633.41
    propionic acid 614.38
    o-xylene 441.84
    formic acid 294.69
    diethyl ether 1278.58
    m-xylene 594.91
    p-xylene 500.29
    chlorobenzene 954.91
    dimethyl carbonate 454.67
    n-octane 25.46
    formamide 508.57
    cyclopentanone 1277.37
    2-pentanone 1041.9
    anisole 710.5
    cyclopentyl methyl ether 1117.44
    gamma-butyrolactone 1297.8
    1-methoxy-2-propanol 1167.96
    pyridine 1233.39
    3-pentanone 758.27
    furfural 1075.6
    n-dodecane 21.21
    diethylene glycol 807.05
    diisopropyl ether 499.89
    tert-amyl alcohol 820.25
    acetylacetone 1113.2
    n-hexadecane 25.53
    acetophenone 542.58
    methyl propionate 951.09
    isopentyl acetate 915.32
    trichloroethylene 2968.35
    n-nonanol 279.55
    cyclohexanol 759.32
    benzyl alcohol 472.54
    2-ethylhexanol 388.23
    isooctanol 274.25
    dipropyl ether 435.39
    1,2-dichlorobenzene 861.78
    ethyl lactate 305.97
    propylene carbonate 806.84
    n-methylformamide 662.24
    2-pentanol 741.32
    n-pentane 131.19
    1-propoxy-2-propanol 848.75
    1-methoxy-2-propyl acetate 1077.07
    2-(2-methoxypropoxy) propanol 644.92
    mesitylene 368.28
    ε-caprolactone 1124.78
    p-cymene 204.88
    epichlorohydrin 2024.45
    1,1,1-trichloroethane 1710.67
    2-aminoethanol 416.78
    morpholine-4-carbaldehyde 1204.35
    sulfolane 986.33
    2,2,4-trimethylpentane 75.92
    2-methyltetrahydrofuran 1672.77
    n-hexyl acetate 721.1
    isooctane 77.8
    2-(2-butoxyethoxy)ethanol 935.61
    sec-butyl acetate 587.64
    tert-butyl acetate 1027.83
    decalin 98.92
    glycerin 370.16
    diglyme 1464.49
    acrylic acid 503.13
    isopropyl myristate 259.71
    n-butyric acid 995.37
    acetyl acetate 839.88
    di(2-ethylhexyl) phthalate 229.41
    ethyl propionate 621.26
    nitromethane 1302.57
    1,2-diethoxyethane 1045.5
    benzonitrile 686.55
    trioctyl phosphate 168.81
    1-bromopropane 1032.27
    gamma-valerolactone 1645.62
    n-decanol 202.8
    triethyl phosphate 228.99
    4-methyl-2-pentanol 516.32
    propionitrile 725.04
    vinylene carbonate 774.41
    1,1,2-trichlorotrifluoroethane 1163.13
    DMS 709.83
    cumene 267.92
    2-octanol 222.94
    2-hexanone 606.3
    octyl acetate 327.04
    limonene 267.81
    1,2-dimethoxyethane 1175.18
    ethyl orthosilicate 230.05
    tributyl phosphate 226.3
    diacetone alcohol 895.43
    N,N-dimethylaniline 404.69
    acrylonitrile 759.42
    aniline 834.47
    1,3-propanediol 681.01
    bromobenzene 982.7
    dibromomethane 1464.55
    1,1,2,2-tetrachloroethane 2533.51
    2-methyl-cyclohexyl acetate 397.36
    tetrabutyl urea 242.05
    diisobutyl methanol 242.81
    2-phenylethanol 618.43
    styrene 448.44
    dioctyl adipate 323.28
    dimethyl sulfate 512.84
    ethyl butyrate 520.98
    methyl lactate 466.86
    butyl lactate 424.31
    diethyl carbonate 350.83
    propanediol butyl ether 549.71
    triethyl orthoformate 362.75
    p-tert-butyltoluene 204.05
    methyl 4-tert-butylbenzoate 478.35
    morpholine 2117.58
    tert-butylamine 749.06
    n-dodecanol 148.51
    dimethoxymethane 1041.1
    ethylene carbonate 704.72
    cyrene 385.38
    2-ethoxyethyl acetate 824.27
    2-ethylhexyl acetate 683.87
    1,2,4-trichlorobenzene 965.04
    4-methylpyridine 1317.31
    dibutyl ether 394.29
    2,6-dimethyl-4-heptanol 242.81
    DEF 925.17
    dimethyl isosorbide 801.92
    tetrachloroethylene 1382.84
    eugenol 448.48
    triacetin 629.06
    span 80 485.95
    1,4-butanediol 233.8
    1,1-dichloroethane 1909.22
    2-methyl-1-pentanol 513.05
    methyl formate 502.0
    2-methyl-1-butanol 778.33
    n-decane 39.2
    butyronitrile 809.21
    3,7-dimethyl-1-octanol 388.59
    1-chlorooctane 216.54
    1-chlorotetradecane 79.68
    n-nonane 35.5
    undecane 28.03
    tert-butylcyclohexane 91.5
    cyclooctane 80.26
    cyclopentanol 688.83
    tetrahydropyran 1899.81
    tert-amyl methyl ether 836.89
    2,5,8-trioxanonane 854.73
    1-hexene 371.91
    2-isopropoxyethanol 581.05
    2,2,2-trifluoroethanol 398.71
    methyl butyrate 711.6

    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