Myrtenyl formate

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  • Identifiers

    CAS number
    72928-52-0

    Molecular formula
    C11H16O2

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

  • Odor profile

    Fragrance
    Woody 82.24%
    Herbal 73.41%
    Sweet 68.9%
    Pine 57.21%
    Spicy 56.85%
    Mint 49.35%
    Camphoreous 49.33%
    Green 47.56%
    Fresh 46.75%
    Balsamic 43.78%

     

    Flavor
    Herbal 44.36%
    Woody 41.02%
    Sweet 39.66%
    Spicy 37.08%
    Balsam 35.73%
    Fruity 35.01%
    Green 32.45%
    Pine 30.75%
    Fresh 28.63%
    Camphor 28.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    8.22 (weak base)

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 127.00 to 130.00 °C. @ 40.00 mm Hg

    Flash point

    • 94.95 ˚C est.

  • Synonyms

    • Myrtenyl formate
    • 72928-52-0
    • (+)-Myrtenyl formate
    • (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl formate
    • 2-pinen-10-yl formate
    • SCHEMBL17580644
    • FEMA 3405
    • DTXSID00868208
    • CHEBI:195868
    • (7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl Formate
    • NS00060652
    • (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl ormate

  • Applications

    Myrtenyl formate (CAS 72928-52-0) is primarily used as an aroma ingredient and odorant in perfumery, functioning as a fixative to extend the scent in fragrance formulations. In cosmetics and personal care, it helps provide delicate green and balsamic notes. It is also used in household products such as air fresheners and scented cleaners to enhance fragrance. Depending on regulatory status and formulation limits, it may be evaluated for flavor/aroma applications in the food sector. In industrial manufacturing, it may serve as an intermediate in the synthesis of fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 209.83
    methanol 206.65
    isopropanol 142.15
    water 1.56
    ethyl acetate 385.29
    n-propanol 175.74
    acetone 380.86
    n-butanol 147.83
    acetonitrile 313.63
    DMF 416.56
    toluene 211.49
    isobutanol 109.55
    1,4-dioxane 477.83
    methyl acetate 352.92
    THF 652.85
    2-butanone 332.58
    n-pentanol 74.25
    sec-butanol 97.21
    n-hexane 5.07
    ethylene glycol 71.27
    NMP 338.68
    cyclohexane 15.51
    DMSO 360.26
    n-butyl acetate 185.0
    n-octanol 36.27
    chloroform 910.77
    n-propyl acetate 175.13
    acetic acid 226.04
    dichloromethane 779.82
    cyclohexanone 355.08
    propylene glycol 77.21
    isopropyl acetate 210.7
    DMAc 279.63
    2-ethoxyethanol 188.54
    isopentanol 129.5
    n-heptane 4.77
    ethyl formate 213.73
    1,2-dichloroethane 527.23
    n-hexanol 103.55
    2-methoxyethanol 374.5
    isobutyl acetate 101.04
    tetrachloromethane 117.12
    n-pentyl acetate 94.45
    transcutol 941.49
    n-heptanol 46.4
    ethylbenzene 84.37
    MIBK 162.35
    2-propoxyethanol 265.67
    tert-butanol 159.32
    MTBE 138.31
    2-butoxyethanol 143.26
    propionic acid 189.23
    o-xylene 121.11
    formic acid 166.93
    diethyl ether 185.7
    m-xylene 144.74
    p-xylene 104.61
    chlorobenzene 313.71
    dimethyl carbonate 195.5
    n-octane 1.86
    formamide 327.61
    cyclopentanone 540.15
    2-pentanone 271.45
    anisole 218.54
    cyclopentyl methyl ether 246.46
    gamma-butyrolactone 637.83
    1-methoxy-2-propanol 283.12
    pyridine 471.59
    3-pentanone 204.27
    furfural 564.94
    n-dodecane 1.52
    diethylene glycol 242.96
    diisopropyl ether 54.51
    tert-amyl alcohol 109.5
    acetylacetone 361.85
    n-hexadecane 1.88
    acetophenone 203.43
    methyl propionate 315.33
    isopentyl acetate 161.83
    trichloroethylene 1181.68
    n-nonanol 34.76
    cyclohexanol 119.39
    benzyl alcohol 160.06
    2-ethylhexanol 57.08
    isooctanol 40.83
    dipropyl ether 66.49
    1,2-dichlorobenzene 283.51
    ethyl lactate 94.32
    propylene carbonate 324.29
    n-methylformamide 339.81
    2-pentanol 90.4
    n-pentane 7.39
    1-propoxy-2-propanol 171.53
    1-methoxy-2-propyl acetate 279.37
    2-(2-methoxypropoxy) propanol 160.73
    mesitylene 80.59
    ε-caprolactone 349.71
    p-cymene 50.86
    epichlorohydrin 865.19
    1,1,1-trichloroethane 433.12
    2-aminoethanol 125.55
    morpholine-4-carbaldehyde 442.48
    sulfolane 489.31
    2,2,4-trimethylpentane 5.44
    2-methyltetrahydrofuran 370.62
    n-hexyl acetate 131.45
    isooctane 5.85
    2-(2-butoxyethoxy)ethanol 221.95
    sec-butyl acetate 122.83
    tert-butyl acetate 206.66
    decalin 9.91
    glycerin 124.85
    diglyme 445.65
    acrylic acid 199.49
    isopropyl myristate 42.66
    n-butyric acid 241.57
    acetyl acetate 249.36
    di(2-ethylhexyl) phthalate 57.24
    ethyl propionate 161.71
    nitromethane 555.11
    1,2-diethoxyethane 197.01
    benzonitrile 240.0
    trioctyl phosphate 35.98
    1-bromopropane 181.6
    gamma-valerolactone 634.62
    n-decanol 24.52
    triethyl phosphate 67.05
    4-methyl-2-pentanol 66.5
    propionitrile 225.6
    vinylene carbonate 336.79
    1,1,2-trichlorotrifluoroethane 465.16
    DMS 203.3
    cumene 52.61
    2-octanol 25.16
    2-hexanone 141.21
    octyl acetate 55.34
    limonene 52.83
    1,2-dimethoxyethane 284.49
    ethyl orthosilicate 60.97
    tributyl phosphate 49.67
    diacetone alcohol 231.33
    N,N-dimethylaniline 117.64
    acrylonitrile 330.86
    aniline 286.73
    1,3-propanediol 191.24
    bromobenzene 299.76
    dibromomethane 429.67
    1,1,2,2-tetrachloroethane 751.99
    2-methyl-cyclohexyl acetate 96.13
    tetrabutyl urea 52.86
    diisobutyl methanol 38.31
    2-phenylethanol 177.66
    styrene 108.1
    dioctyl adipate 70.84
    dimethyl sulfate 255.41
    ethyl butyrate 127.05
    methyl lactate 172.61
    butyl lactate 97.85
    diethyl carbonate 100.94
    propanediol butyl ether 134.22
    triethyl orthoformate 86.83
    p-tert-butyltoluene 49.3
    methyl 4-tert-butylbenzoate 136.46
    morpholine 498.18
    tert-butylamine 85.67
    n-dodecanol 17.01
    dimethoxymethane 326.44
    ethylene carbonate 266.14
    cyrene 148.18
    2-ethoxyethyl acetate 218.4
    2-ethylhexyl acetate 118.99
    1,2,4-trichlorobenzene 347.44
    4-methylpyridine 437.41
    dibutyl ether 43.36
    2,6-dimethyl-4-heptanol 38.31
    DEF 245.73
    dimethyl isosorbide 270.67
    tetrachloroethylene 464.06
    eugenol 139.62
    triacetin 167.55
    span 80 108.52
    1,4-butanediol 57.51
    1,1-dichloroethane 482.81
    2-methyl-1-pentanol 70.21
    methyl formate 286.8
    2-methyl-1-butanol 99.22
    n-decane 2.68
    butyronitrile 188.57
    3,7-dimethyl-1-octanol 49.21
    1-chlorooctane 22.95
    1-chlorotetradecane 7.42
    n-nonane 2.37
    undecane 1.96
    tert-butylcyclohexane 8.58
    cyclooctane 6.28
    cyclopentanol 137.77
    tetrahydropyran 350.21
    tert-amyl methyl ether 94.23
    2,5,8-trioxanonane 260.48
    1-hexene 26.85
    2-isopropoxyethanol 132.0
    2,2,2-trifluoroethanol 139.08
    methyl butyrate 189.67

    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