Myrtenyl-2-methylbutyrate

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  • Identifiers

    CAS number
    138530-44-6

    Molecular formula
    C15H24O2

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

  • Odor profile

    Fragrance
    Fruity 82.38%
    Woody 71.7%
    Herbal 68.34%
    Pine 42.83%
    Sweet 39.09%
    Spicy 38.76%
    Balsamic 38.27%
    Berry 35.33%
    Floral 33.7%
    Mint 32.97%

     

    Flavor
    Herbal 32.87%
    Woody 32.59%
    Fruity 29.14%
    Bitter 27.86%
    Green 26.03%
    Balsam 25.66%
    Sweet 25.4%
    Pine 25.04%
    Tropical 22.94%
    Waxy 22.51%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.13 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 118.33 ˚C est.

  • Synonyms

    • Myrtenyl-2-methylbutyrate
    • DTXSID401020144
    • 138530-44-6
    • (6,6-dimethyl-2-bicyclo(3.1.1)hept-2-enyl)methyl 2-methylbutanoate
    • (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl 2-methylbutanoate
    • Myrtenyl 2-methyl butyrate
    • SCHEMBL16057055
    • NMVOOLZURJHGKQ-UHFFFAOYSA-N
    • DTXCID001477987
    • NS00123807
    • (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 2-methylbutanoate
    • Butanoic acid, 2-methyl-, (6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl este

  • Applications

    Myrtenyl-2-methylbutyrate (CAS 138530-44-6) is a terpene-derived ester primarily used as an odorant in the fragrance industry, where its pine-woody notes can contribute to perfumes and scented products and may act as a fixative to extend aroma longevity. It is commonly employed in cosmetics and personal care formulations as a fragrance ingredient, adding a natural, resinous character. In household products, it is used as a fragrance component in air fresheners and cleaners to impart a fresh, woody note. In industrial manufacturing, it may function as an intermediate for the synthesis of aroma compounds and related fragrance materials. It may also be used as a fragrance additive in coatings and inks to impart scent during product use, under appropriate regulatory and formulation controls.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1180.61
    methanol 854.52
    isopropanol 1004.97
    water 1.86
    ethyl acetate 2085.4
    n-propanol 1004.49
    acetone 1300.45
    n-butanol 1078.01
    acetonitrile 1024.89
    DMF 1337.11
    toluene 1101.04
    isobutanol 775.17
    1,4-dioxane 2538.24
    methyl acetate 1261.86
    THF 2073.79
    2-butanone 1224.87
    n-pentanol 524.23
    sec-butanol 784.88
    n-hexane 121.45
    ethylene glycol 137.07
    NMP 687.79
    cyclohexane 251.18
    DMSO 584.05
    n-butyl acetate 1336.21
    n-octanol 271.03
    chloroform 3730.66
    n-propyl acetate 892.67
    acetic acid 981.92
    dichloromethane 2662.95
    cyclohexanone 1381.31
    propylene glycol 237.52
    isopropyl acetate 1504.81
    DMAc 1122.05
    2-ethoxyethanol 869.3
    isopentanol 1097.7
    n-heptane 49.19
    ethyl formate 692.71
    1,2-dichloroethane 1997.66
    n-hexanol 839.33
    2-methoxyethanol 1449.9
    isobutyl acetate 635.31
    tetrachloromethane 516.0
    n-pentyl acetate 610.42
    transcutol 4709.11
    n-heptanol 337.43
    ethylbenzene 521.12
    MIBK 945.56
    2-propoxyethanol 1475.19
    tert-butanol 1224.25
    MTBE 1932.36
    2-butoxyethanol 770.75
    propionic acid 630.41
    o-xylene 596.49
    formic acid 345.26
    diethyl ether 2012.63
    m-xylene 806.26
    p-xylene 677.56
    chlorobenzene 1264.85
    dimethyl carbonate 544.92
    n-octane 22.52
    formamide 688.06
    cyclopentanone 1200.94
    2-pentanone 1273.88
    anisole 984.7
    cyclopentyl methyl ether 1152.57
    gamma-butyrolactone 1239.89
    1-methoxy-2-propanol 1245.63
    pyridine 1567.72
    3-pentanone 941.97
    furfural 1239.18
    n-dodecane 17.78
    diethylene glycol 918.46
    diisopropyl ether 723.17
    tert-amyl alcohol 998.38
    acetylacetone 1490.14
    n-hexadecane 21.69
    acetophenone 711.83
    methyl propionate 1174.02
    isopentyl acetate 1263.29
    trichloroethylene 3328.52
    n-nonanol 265.11
    cyclohexanol 814.21
    benzyl alcohol 616.74
    2-ethylhexanol 426.2
    isooctanol 311.08
    dipropyl ether 515.0
    1,2-dichlorobenzene 1116.67
    ethyl lactate 321.26
    propylene carbonate 850.3
    n-methylformamide 757.25
    2-pentanol 833.95
    n-pentane 146.43
    1-propoxy-2-propanol 940.65
    1-methoxy-2-propyl acetate 1443.15
    2-(2-methoxypropoxy) propanol 742.9
    mesitylene 490.71
    ε-caprolactone 1343.8
    p-cymene 246.03
    epichlorohydrin 2142.66
    1,1,1-trichloroethane 1949.82
    2-aminoethanol 422.63
    morpholine-4-carbaldehyde 1447.52
    sulfolane 822.43
    2,2,4-trimethylpentane 90.33
    2-methyltetrahydrofuran 1640.93
    n-hexyl acetate 771.81
    isooctane 98.62
    2-(2-butoxyethoxy)ethanol 1122.05
    sec-butyl acetate 836.71
    tert-butyl acetate 1467.5
    decalin 123.91
    glycerin 315.91
    diglyme 1953.88
    acrylic acid 494.11
    isopropyl myristate 278.29
    n-butyric acid 1153.5
    acetyl acetate 1191.99
    di(2-ethylhexyl) phthalate 247.91
    ethyl propionate 803.07
    nitromethane 1532.5
    1,2-diethoxyethane 1760.31
    benzonitrile 816.93
    trioctyl phosphate 165.3
    1-bromopropane 1151.33
    gamma-valerolactone 1871.3
    n-decanol 188.34
    triethyl phosphate 263.92
    4-methyl-2-pentanol 613.3
    propionitrile 840.77
    vinylene carbonate 890.38
    1,1,2-trichlorotrifluoroethane 1171.76
    DMS 844.02
    cumene 353.9
    2-octanol 222.37
    2-hexanone 698.71
    octyl acetate 344.1
    limonene 304.15
    1,2-dimethoxyethane 1581.62
    ethyl orthosilicate 288.49
    tributyl phosphate 235.57
    diacetone alcohol 1066.98
    N,N-dimethylaniline 554.95
    acrylonitrile 870.0
    aniline 1035.03
    1,3-propanediol 794.96
    bromobenzene 1317.96
    dibromomethane 1730.79
    1,1,2,2-tetrachloroethane 2817.39
    2-methyl-cyclohexyl acetate 475.81
    tetrabutyl urea 240.08
    diisobutyl methanol 281.46
    2-phenylethanol 748.18
    styrene 637.12
    dioctyl adipate 348.36
    dimethyl sulfate 544.72
    ethyl butyrate 697.25
    methyl lactate 446.36
    butyl lactate 448.16
    diethyl carbonate 476.08
    propanediol butyl ether 550.39
    triethyl orthoformate 485.53
    p-tert-butyltoluene 245.93
    methyl 4-tert-butylbenzoate 549.02
    morpholine 2512.85
    tert-butylamine 887.22
    n-dodecanol 137.19
    dimethoxymethane 1351.25
    ethylene carbonate 812.93
    cyrene 404.41
    2-ethoxyethyl acetate 1168.63
    2-ethylhexyl acetate 937.19
    1,2,4-trichlorobenzene 1170.62
    4-methylpyridine 1696.3
    dibutyl ether 438.26
    2,6-dimethyl-4-heptanol 281.46
    DEF 1216.58
    dimethyl isosorbide 957.07
    tetrachloroethylene 1692.57
    eugenol 508.25
    triacetin 704.95
    span 80 497.66
    1,4-butanediol 242.14
    1,1-dichloroethane 2152.18
    2-methyl-1-pentanol 628.52
    methyl formate 522.75
    2-methyl-1-butanol 914.02
    n-decane 32.51
    butyronitrile 923.46
    3,7-dimethyl-1-octanol 397.23
    1-chlorooctane 188.9
    1-chlorotetradecane 71.56
    n-nonane 28.46
    undecane 23.08
    tert-butylcyclohexane 111.89
    cyclooctane 90.6
    cyclopentanol 582.17
    tetrahydropyran 2155.73
    tert-amyl methyl ether 1166.03
    2,5,8-trioxanonane 1123.16
    1-hexene 387.78
    2-isopropoxyethanol 717.35
    2,2,2-trifluoroethanol 414.03
    methyl butyrate 927.85

    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
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.08%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Myrtle leaf (Yugoslavia) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.03%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.02%
Myrtle leaf (France) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Roman chamomile (Germany) 1b headspace 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.45%