Myrtenic acid

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  • Identifiers

    CAS number
    19250-17-0

    Molecular formula
    C10H14O2

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

  • Odor profile

    Herbal 72.76%
    Woody 57.78%
    Mint 56.13%
    Balsamic 55.33%
    Pine 51.95%
    Spicy 51.33%
    Camphoreous 48.66%
    Cooling 46.13%
    Sweet 43.24%
    Green 43.18%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.04 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point est.
    125.98 ˚C

  • Synonyms

    • 19250-17-0
    • 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid
    • Myrtenic acid
    • myrtenoic acid
    • Bicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-
    • EINECS 242-920-7
    • CHEBI:25459
    • DTXSID20940914
    • 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxylic acid
    • Myrtenoate
    • 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxylate
    • 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate
    • Pina-2-ene-10-oic acid
    • SCHEMBL15798196
    • DTXCID40929423
    • LMPR0102120024
    • BS-45474
    • CS-0290234
    • NS00053737
    • E85163
    • EN300-1168557
    • 6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylicacid
    • 242-920-7

  • Applications

    Myrtenic acid (CAS 19250-17-0) is a bicyclic monoterpenic carboxylic acid derived from turpentine streams, employed as a bio-based building block to access pine- and camphor-like esters and amides for fragrance and personal care, as an intermediate in pharmaceutical and agrochemical discovery, and as a rigid chiral scaffold; in research it serves as a reference/marker for GC–MS analysis of monoterpene oxidation products (e.g., in conifer essential oils, resins, and atmospheric aging studies), and as a convenient starting point for bio-derived materials and additives (surfactants, ionic liquids, functionalized polymers) via its readily transformable carboxyl group.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 265.64
    methanol 287.23
    isopropanol 269.04
    water 5.75
    ethyl acetate 177.36
    n-propanol 230.55
    acetone 292.54
    n-butanol 182.76
    acetonitrile 176.96
    DMF 309.66
    toluene 47.26
    isobutanol 159.63
    1,4-dioxane 358.65
    methyl acetate 200.72
    THF 712.65
    2-butanone 258.2
    n-pentanol 113.66
    sec-butanol 168.32
    n-hexane 5.91
    ethylene glycol 88.43
    NMP 126.26
    cyclohexane 6.0
    DMSO 299.32
    n-butyl acetate 104.88
    n-octanol 79.38
    chloroform 213.76
    n-propyl acetate 74.67
    acetic acid 83.31
    dichloromethane 167.27
    cyclohexanone 161.4
    propylene glycol 96.17
    isopropyl acetate 110.27
    DMAc 167.94
    2-ethoxyethanol 187.25
    isopentanol 145.16
    n-heptane 5.78
    ethyl formate 110.96
    1,2-dichloroethane 141.99
    n-hexanol 184.92
    2-methoxyethanol 349.65
    isobutyl acetate 51.7
    tetrachloromethane 35.75
    n-pentyl acetate 72.12
    transcutol 245.59
    n-heptanol 100.88
    ethylbenzene 32.87
    MIBK 118.03
    2-propoxyethanol 328.34
    tert-butanol 251.88
    MTBE 151.89
    2-butoxyethanol 176.33
    propionic acid 95.09
    o-xylene 35.17
    formic acid 73.04
    diethyl ether 158.99
    m-xylene 53.57
    p-xylene 43.86
    chlorobenzene 64.63
    dimethyl carbonate 66.0
    n-octane 4.77
    formamide 122.83
    cyclopentanone 305.35
    2-pentanone 192.53
    anisole 78.22
    cyclopentyl methyl ether 152.91
    gamma-butyrolactone 292.25
    1-methoxy-2-propanol 315.41
    pyridine 149.72
    3-pentanone 113.4
    furfural 168.41
    n-dodecane 4.12
    diethylene glycol 271.09
    diisopropyl ether 42.79
    tert-amyl alcohol 165.57
    acetylacetone 160.12
    n-hexadecane 4.64
    acetophenone 65.28
    methyl propionate 147.4
    isopentyl acetate 98.55
    trichloroethylene 214.5
    n-nonanol 67.19
    cyclohexanol 87.51
    benzyl alcohol 71.92
    2-ethylhexanol 69.34
    isooctanol 73.65
    dipropyl ether 59.92
    1,2-dichlorobenzene 54.67
    ethyl lactate 54.2
    propylene carbonate 102.71
    n-methylformamide 215.78
    2-pentanol 122.85
    n-pentane 6.79
    1-propoxy-2-propanol 193.46
    1-methoxy-2-propyl acetate 140.11
    2-(2-methoxypropoxy) propanol 98.68
    mesitylene 32.23
    ε-caprolactone 126.42
    p-cymene 26.36
    epichlorohydrin 357.17
    1,1,1-trichloroethane 115.54
    2-aminoethanol 154.45
    morpholine-4-carbaldehyde 187.29
    sulfolane 207.18
    2,2,4-trimethylpentane 5.2
    2-methyltetrahydrofuran 263.66
    n-hexyl acetate 94.09
    isooctane 6.73
    2-(2-butoxyethoxy)ethanol 151.01
    sec-butyl acetate 57.92
    tert-butyl acetate 109.58
    decalin 5.5
    glycerin 119.84
    diglyme 225.43
    acrylic acid 70.63
    isopropyl myristate 35.98
    n-butyric acid 122.95
    acetyl acetate 72.68
    di(2-ethylhexyl) phthalate 36.42
    ethyl propionate 72.74
    nitromethane 201.51
    1,2-diethoxyethane 96.56
    benzonitrile 73.43
    trioctyl phosphate 34.44
    1-bromopropane 83.11
    gamma-valerolactone 286.95
    n-decanol 50.46
    triethyl phosphate 30.39
    4-methyl-2-pentanol 83.98
    propionitrile 151.55
    vinylene carbonate 91.11
    1,1,2-trichlorotrifluoroethane 147.65
    DMS 73.32
    cumene 27.47
    2-octanol 68.65
    2-hexanone 96.6
    octyl acetate 49.83
    limonene 30.05
    1,2-dimethoxyethane 232.09
    ethyl orthosilicate 29.94
    tributyl phosphate 31.64
    diacetone alcohol 165.43
    N,N-dimethylaniline 52.2
    acrylonitrile 167.81
    aniline 78.39
    1,3-propanediol 199.29
    bromobenzene 54.72
    dibromomethane 120.07
    1,1,2,2-tetrachloroethane 160.74
    2-methyl-cyclohexyl acetate 50.0
    tetrabutyl urea 43.33
    diisobutyl methanol 44.65
    2-phenylethanol 122.34
    styrene 29.64
    dioctyl adipate 36.37
    dimethyl sulfate 91.89
    ethyl butyrate 60.23
    methyl lactate 93.79
    butyl lactate 67.23
    diethyl carbonate 39.4
    propanediol butyl ether 123.04
    triethyl orthoformate 41.22
    p-tert-butyltoluene 28.02
    methyl 4-tert-butylbenzoate 78.65
    morpholine 366.24
    tert-butylamine 120.16
    n-dodecanol 36.2
    dimethoxymethane 272.63
    ethylene carbonate 79.19
    cyrene 84.06
    2-ethoxyethyl acetate 100.01
    2-ethylhexyl acetate 66.15
    1,2,4-trichlorobenzene 62.47
    4-methylpyridine 127.11
    dibutyl ether 41.08
    2,6-dimethyl-4-heptanol 44.65
    DEF 119.17
    dimethyl isosorbide 144.9
    tetrachloroethylene 103.85
    eugenol 93.39
    triacetin 57.7
    span 80 82.16
    1,4-butanediol 84.97
    1,1-dichloroethane 161.88
    2-methyl-1-pentanol 86.39
    methyl formate 158.33
    2-methyl-1-butanol 120.8
    n-decane 6.66
    butyronitrile 141.71
    3,7-dimethyl-1-octanol 66.63
    1-chlorooctane 34.16
    1-chlorotetradecane 12.86
    n-nonane 6.01
    undecane 5.16
    tert-butylcyclohexane 7.09
    cyclooctane 3.24
    cyclopentanol 142.86
    tetrahydropyran 240.11
    tert-amyl methyl ether 92.52
    2,5,8-trioxanonane 141.32
    1-hexene 27.06
    2-isopropoxyethanol 136.7
    2,2,2-trifluoroethanol 62.04
    methyl butyrate 85.77

    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) 0.05%
Pichana (Broom) (Argentina) Baccharis spartioides (Hook. et Arn.) Remy, fam. Asteraceae (Compositae) 0.15%