Methyl myrtenate

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  • Identifiers

    CAS number
    30649-97-9

    Molecular formula
    C11H16O2

    SMILES
    CC1(C2CC=C(C1C2)C(=O)OC)C

    Retention indicies (RI)

    • DB5: 1305.0
    • Carbowax: 1674.0

  • Odor profile

    Herbal 82.22%
    Woody 69.9%
    Fruity 68.01%
    Sweet 67.14%
    Mint 60.76%
    Pine 56.98%
    Spicy 54.94%
    Camphoreous 54.22%
    Green 51.01%
    Fresh 47.07%

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  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.36 (neutral)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    242°C

    Flash point est.
    102.99 ˚C

  • Synonyms

    • methyl myrtenate
    • Myrtenic acid methyl ester
    • HOC6PI359B
    • Methyl myrtenate, (+/-)-
    • 30649-97-9
    • UNII-HOC6PI359B
    • 2-Norpinene-2-carboxylic acid, 6,6-dimethyl-, methyl ester
    • Methyl 6,6-dimethylbicyclo(3.1.1)hept-3-ene-4-carboxylate
    • DTXSID30423900
    • Bicyclo(3.1.1)hept-2-ene-2-carboxylic acid, 6,6-dimethyl-, methyl ester
    • Methyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate
    • Bicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-, methyl ester
    • Methyl 6,6-dimethylbicyclo(3.1.1)hept-2-ene-2-carboxylate
    • (+/-)-methyl myrtenate
    • DTXCID00374738
    • Q27896677

  • Applications

    Methyl myrtenate (CAS 30649-97-9) is a monoterpene ester with a cool minty–herbal odour and piney, slightly camphoraceous, fruity facets, widely used as a fragrance ingredient in fine fragrances, body sprays, personal care (creams, shampoos, body washes, deodorants) and household products (detergents, cleaners, air fresheners, scented candles), where it acts as a soft fixer and tonal modifier that rounds blends, bridges top-to-heart notes, and boosts clean, green freshness in aromatic, fougère, citrus, woody and mint accords; in foods, beverages and chewing applications it can serve as a flavour adjunct to enhance mint/herbal profiles in confectionery, chewing gum and herbal or mint-flavoured drinks, delivering a natural cooling impression; in oral care (toothpastes, mouthwashes) it smooths and refines mint complexes and reduces menthol harshness; in flavour–fragrance manufacturing it also serves as a terpene-derived intermediate from turpentine feedstocks for synthesising bicyclic derivatives and as an analytical reference standard, showing good compatibility with linalool, limonene, eucalyptol and reasonable formulation stability to support long-lasting, bio-based designs.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.2
    methanol 124.77
    isopropanol 161.02
    water 2.24
    ethyl acetate 111.43
    n-propanol 140.02
    acetone 126.52
    n-butanol 129.39
    acetonitrile 114.28
    DMF 231.86
    toluene 147.39
    isobutanol 111.88
    1,4-dioxane 275.54
    methyl acetate 146.12
    THF 237.99
    2-butanone 154.16
    n-pentanol 82.8
    sec-butanol 123.05
    n-hexane 4.17
    ethylene glycol 50.68
    NMP 124.21
    cyclohexane 14.42
    DMSO 94.61
    n-butyl acetate 98.8
    n-octanol 69.91
    chloroform 438.93
    n-propyl acetate 68.64
    acetic acid 77.22
    dichloromethane 284.04
    cyclohexanone 166.44
    propylene glycol 63.47
    isopropyl acetate 76.09
    DMAc 167.89
    2-ethoxyethanol 114.07
    isopentanol 114.03
    n-heptane 5.8
    ethyl formate 99.53
    1,2-dichloroethane 155.7
    n-hexanol 121.37
    2-methoxyethanol 216.3
    isobutyl acetate 56.52
    tetrachloromethane 69.61
    n-pentyl acetate 71.28
    transcutol 209.39
    n-heptanol 78.67
    ethylbenzene 69.44
    MIBK 85.77
    2-propoxyethanol 186.22
    tert-butanol 169.0
    MTBE 104.24
    2-butoxyethanol 118.85
    propionic acid 87.19
    o-xylene 92.79
    formic acid 45.36
    diethyl ether 79.42
    m-xylene 104.46
    p-xylene 102.2
    chlorobenzene 143.66
    dimethyl carbonate 59.08
    n-octane 4.72
    formamide 78.5
    cyclopentanone 171.76
    2-pentanone 107.81
    anisole 112.08
    cyclopentyl methyl ether 87.02
    gamma-butyrolactone 167.21
    1-methoxy-2-propanol 178.13
    pyridine 236.38
    3-pentanone 82.26
    furfural 202.67
    n-dodecane 5.55
    diethylene glycol 161.39
    diisopropyl ether 31.61
    tert-amyl alcohol 121.2
    acetylacetone 109.14
    n-hexadecane 6.43
    acetophenone 104.16
    methyl propionate 97.91
    isopentyl acetate 100.9
    trichloroethylene 320.15
    n-nonanol 64.29
    cyclohexanol 104.3
    benzyl alcohol 113.64
    2-ethylhexanol 71.02
    isooctanol 65.78
    dipropyl ether 41.68
    1,2-dichlorobenzene 135.95
    ethyl lactate 58.35
    propylene carbonate 118.81
    n-methylformamide 124.79
    2-pentanol 86.72
    n-pentane 7.26
    1-propoxy-2-propanol 136.1
    1-methoxy-2-propyl acetate 117.06
    2-(2-methoxypropoxy) propanol 102.96
    mesitylene 63.53
    ε-caprolactone 142.06
    p-cymene 50.59
    epichlorohydrin 235.24
    1,1,1-trichloroethane 184.79
    2-aminoethanol 93.27
    morpholine-4-carbaldehyde 184.17
    sulfolane 136.52
    2,2,4-trimethylpentane 7.53
    2-methyltetrahydrofuran 147.03
    n-hexyl acetate 96.6
    isooctane 7.56
    2-(2-butoxyethoxy)ethanol 130.66
    sec-butyl acetate 57.05
    tert-butyl acetate 81.71
    decalin 11.36
    glycerin 86.85
    diglyme 197.63
    acrylic acid 77.9
    isopropyl myristate 43.5
    n-butyric acid 118.62
    acetyl acetate 75.36
    di(2-ethylhexyl) phthalate 52.69
    ethyl propionate 64.74
    nitromethane 139.19
    1,2-diethoxyethane 83.43
    benzonitrile 150.7
    trioctyl phosphate 37.77
    1-bromopropane 96.32
    gamma-valerolactone 229.03
    n-decanol 49.66
    triethyl phosphate 42.64
    4-methyl-2-pentanol 69.42
    propionitrile 122.69
    vinylene carbonate 140.62
    1,1,2-trichlorotrifluoroethane 168.28
    DMS 86.88
    cumene 52.13
    2-octanol 55.89
    2-hexanone 76.37
    octyl acetate 55.01
    limonene 52.88
    1,2-dimethoxyethane 159.84
    ethyl orthosilicate 41.67
    tributyl phosphate 38.0
    diacetone alcohol 119.39
    N,N-dimethylaniline 79.47
    acrylonitrile 155.33
    aniline 147.27
    1,3-propanediol 142.49
    bromobenzene 146.36
    dibromomethane 191.48
    1,1,2,2-tetrachloroethane 256.17
    2-methyl-cyclohexyl acetate 72.39
    tetrabutyl urea 51.41
    diisobutyl methanol 46.46
    2-phenylethanol 141.15
    styrene 73.53
    dioctyl adipate 52.91
    dimethyl sulfate 71.83
    ethyl butyrate 67.01
    methyl lactate 75.69
    butyl lactate 69.93
    diethyl carbonate 54.87
    propanediol butyl ether 106.13
    triethyl orthoformate 53.39
    p-tert-butyltoluene 49.64
    methyl 4-tert-butylbenzoate 101.38
    morpholine 264.6
    tert-butylamine 96.43
    n-dodecanol 38.02
    dimethoxymethane 138.6
    ethylene carbonate 108.06
    cyrene 100.76
    2-ethoxyethyl acetate 101.84
    2-ethylhexyl acetate 78.01
    1,2,4-trichlorobenzene 153.48
    4-methylpyridine 225.86
    dibutyl ether 39.83
    2,6-dimethyl-4-heptanol 46.46
    DEF 100.79
    dimethyl isosorbide 152.89
    tetrachloroethylene 165.3
    eugenol 109.8
    triacetin 82.24
    span 80 88.91
    1,4-butanediol 58.35
    1,1-dichloroethane 194.09
    2-methyl-1-pentanol 81.62
    methyl formate 101.92
    2-methyl-1-butanol 103.1
    n-decane 8.13
    butyronitrile 121.7
    3,7-dimethyl-1-octanol 68.95
    1-chlorooctane 37.03
    1-chlorotetradecane 17.78
    n-nonane 6.83
    undecane 6.61
    tert-butylcyclohexane 11.46
    cyclooctane 5.84
    cyclopentanol 110.51
    tetrahydropyran 173.29
    tert-amyl methyl ether 72.29
    2,5,8-trioxanonane 145.49
    1-hexene 22.51
    2-isopropoxyethanol 91.81
    2,2,2-trifluoroethanol 54.31
    methyl butyrate 81.45

    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
Hyssop (France) 1 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 4.8%
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.09%
Hyssop flower 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.9%
Hyssop leaf 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 1.8%
Hyssop stem 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 2.2%
Hyssop root 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 3.1%
Hyssop (Finland) 1 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.3%
Hyssop (Finland) 2 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.25%
Hyssop (Finland) 3 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.25%
Hyssop (Finland) 4 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.25%
Darwinia citriodora 1a Chemotype A Darwinia citriodora (Endl.) Benth., fam. Myrtaceae 85.3%
Darwinia citriodora 1b Chemotype B Darwinia citriodora (Endl.) Benth., fam. Myrtaceae 41.0%