Myrcenyl acetate

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  • Identifiers

    CAS number
    1118-39-4

    Molecular formula
    C12H20O2

    SMILES
    CC(=O)OC(C)(C)CCCC(=C)C=C

    Retention indicies (RI)

    • Carbowax: 1574.0

  • Odor profile

    Woody 71.72%
    Citrus 70.7%
    Floral 70.68%
    Fresh 64.98%
    Herbal 57.43%
    Bergamot 54.18%
    Lavender 53.87%
    Sweet 52.76%
    Fruity 47.56%
    Spicy 44.8%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.62 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point est.
    90.61 ˚C

  • Synonyms

    • Myrcenyl acetate
    • 1118-39-4
    • Neobergamate
    • Pseudo linalyl acetate
    • 2-methyl-6-methylideneoct-7-en-2-yl acetate
    • 7-OCTEN-2-OL, 2-METHYL-6-METHYLENE-, ACETATE
    • (2-methyl-6-methylideneoct-7-en-2-yl) acetate
    • 7-Octen-2-ol, 2-methyl-6-methylene-, 2-acetate
    • DTXSID4047416
    • 4BS9397SE5
    • bergamyl acetate
    • Acetic acid, myrcenyl ester
    • EINECS 214-262-0
    • BRN 1768049
    • 2-Acetoxy-2-methyl-6-methylene-7-octene
    • UNII-4BS9397SE5
    • 2-Methyl-6-methylene-7-octen-2-yl acetate
    • 3-Methylene-7-methyl-1-octen-7-yl acetate
    • EINECS 273-868-3
    • Acetic acid, 2-methyl-6-methylene-7-octen-2-yl ester
    • MYRCENOL, ACETATE
    • 4-02-00-00205 (Beilstein Handbook Reference)
    • SCHEMBL1170763
    • CHEMBL3186281
    • DTXCID2027416
    • Tox21_302568
    • AKOS006272418
    • NCGC00256724-01
    • 7-Acetoxy-7-methyl-3-methylene-1-octene
    • CAS-1118-39-4
    • DS-018082
    • NS00013015
    • (2-METHYL-6-METHYLENE-7-OCTEN-2-YL) ACETATE
    • Q27259381

  • Applications

    Myrcenyl acetate (CAS 1118-39-4) is a monoterpene ester widely used as a fragrance and flavor ingredient: in perfumery and personal/home care it imparts fresh citrus, tropical-fruity, green-herbal and slightly hoppy nuances, lifting top notes, smoothing sharp terpenic facets and conveying cleanliness in colognes, body mists, shampoos, shower gels, soaps, detergents, deodorizers, candles and air-care; in flavor applications (at very low levels) it rounds and boosts citrus, tropical-fruit and green-herbal profiles in confectionery, chewing gum, syrups, flavored beverages and baked goods; it is also employed as a terpene building block/intermediate (via conversion to myrcenol and derivatives) and as a blender/modifier to bridge natural essential-oil notes in aroma concentrates and air-freshener formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1893.76
    methanol 2205.0
    isopropanol 1482.58
    water 4.47
    ethyl acetate 978.46
    n-propanol 1372.16
    acetone 1005.69
    n-butanol 1391.97
    acetonitrile 641.25
    DMF 1392.68
    toluene 559.07
    isobutanol 1100.19
    1,4-dioxane 1811.48
    methyl acetate 798.9
    THF 2283.11
    2-butanone 901.58
    n-pentanol 1010.26
    sec-butanol 1373.3
    n-hexane 411.9
    ethylene glycol 243.83
    NMP 1373.93
    cyclohexane 386.41
    DMSO 759.4
    n-butyl acetate 657.44
    n-octanol 515.83
    chloroform 1918.46
    n-propyl acetate 493.8
    acetic acid 1084.03
    dichloromethane 1355.55
    cyclohexanone 1372.45
    propylene glycol 530.84
    isopropyl acetate 682.62
    DMAc 1596.42
    2-ethoxyethanol 909.13
    isopentanol 1177.35
    n-heptane 161.8
    ethyl formate 564.81
    1,2-dichloroethane 772.04
    n-hexanol 1397.67
    2-methoxyethanol 1483.28
    isobutyl acetate 372.26
    tetrachloromethane 278.73
    n-pentyl acetate 432.6
    transcutol 2682.28
    n-heptanol 427.94
    ethylbenzene 331.94
    MIBK 566.51
    2-propoxyethanol 1472.12
    tert-butanol 1785.48
    MTBE 1460.25
    2-butoxyethanol 563.03
    propionic acid 823.4
    o-xylene 375.35
    formic acid 429.65
    diethyl ether 1333.52
    m-xylene 448.21
    p-xylene 386.87
    chlorobenzene 525.65
    dimethyl carbonate 263.72
    n-octane 57.89
    formamide 349.65
    cyclopentanone 1051.09
    2-pentanone 837.35
    anisole 527.41
    cyclopentyl methyl ether 1257.43
    gamma-butyrolactone 1156.43
    1-methoxy-2-propanol 1299.69
    pyridine 797.67
    3-pentanone 622.23
    furfural 869.19
    n-dodecane 43.91
    diethylene glycol 831.9
    diisopropyl ether 432.65
    tert-amyl alcohol 1534.89
    acetylacetone 705.52
    n-hexadecane 48.8
    acetophenone 411.97
    methyl propionate 691.71
    isopentyl acetate 636.02
    trichloroethylene 1302.52
    n-nonanol 429.12
    cyclohexanol 1358.92
    benzyl alcohol 482.13
    2-ethylhexanol 645.51
    isooctanol 311.96
    dipropyl ether 549.73
    1,2-dichlorobenzene 419.83
    ethyl lactate 263.66
    propylene carbonate 689.63
    n-methylformamide 633.02
    2-pentanol 1052.38
    n-pentane 307.19
    1-propoxy-2-propanol 910.46
    1-methoxy-2-propyl acetate 684.21
    2-(2-methoxypropoxy) propanol 620.09
    mesitylene 260.36
    ε-caprolactone 1265.45
    p-cymene 173.67
    epichlorohydrin 1172.44
    1,1,1-trichloroethane 896.39
    2-aminoethanol 617.42
    morpholine-4-carbaldehyde 1429.76
    sulfolane 1017.81
    2,2,4-trimethylpentane 140.36
    2-methyltetrahydrofuran 1855.26
    n-hexyl acetate 806.33
    isooctane 92.19
    2-(2-butoxyethoxy)ethanol 865.75
    sec-butyl acetate 417.66
    tert-butyl acetate 751.92
    decalin 169.93
    glycerin 550.99
    diglyme 1207.55
    acrylic acid 511.43
    isopropyl myristate 260.19
    n-butyric acid 1166.5
    acetyl acetate 502.59
    di(2-ethylhexyl) phthalate 251.91
    ethyl propionate 480.23
    nitromethane 1049.5
    1,2-diethoxyethane 795.55
    benzonitrile 502.37
    trioctyl phosphate 174.52
    1-bromopropane 797.05
    gamma-valerolactone 1482.48
    n-decanol 290.85
    triethyl phosphate 206.78
    4-methyl-2-pentanol 536.95
    propionitrile 663.08
    vinylene carbonate 594.02
    1,1,2-trichlorotrifluoroethane 904.36
    DMS 454.7
    cumene 237.44
    2-octanol 314.88
    2-hexanone 592.36
    octyl acetate 346.61
    limonene 333.3
    1,2-dimethoxyethane 1368.66
    ethyl orthosilicate 228.21
    tributyl phosphate 237.74
    diacetone alcohol 774.85
    N,N-dimethylaniline 388.62
    acrylonitrile 544.11
    aniline 623.98
    1,3-propanediol 839.59
    bromobenzene 511.35
    dibromomethane 993.77
    1,1,2,2-tetrachloroethane 1191.11
    2-methyl-cyclohexyl acetate 406.02
    tetrabutyl urea 304.49
    diisobutyl methanol 259.49
    2-phenylethanol 553.94
    styrene 367.13
    dioctyl adipate 346.13
    dimethyl sulfate 351.49
    ethyl butyrate 410.79
    methyl lactate 368.57
    butyl lactate 340.6
    diethyl carbonate 266.44
    propanediol butyl ether 659.74
    triethyl orthoformate 321.64
    p-tert-butyltoluene 174.04
    methyl 4-tert-butylbenzoate 418.59
    morpholine 2176.16
    tert-butylamine 1220.1
    n-dodecanol 208.62
    dimethoxymethane 951.74
    ethylene carbonate 541.67
    cyrene 457.16
    2-ethoxyethyl acetate 525.42
    2-ethylhexyl acetate 509.66
    1,2,4-trichlorobenzene 512.09
    4-methylpyridine 1121.83
    dibutyl ether 545.55
    2,6-dimethyl-4-heptanol 259.49
    DEF 944.17
    dimethyl isosorbide 855.29
    tetrachloroethylene 740.61
    eugenol 392.86
    triacetin 552.0
    span 80 573.31
    1,4-butanediol 359.84
    1,1-dichloroethane 1009.07
    2-methyl-1-pentanol 888.34
    methyl formate 458.63
    2-methyl-1-butanol 1168.13
    n-decane 83.87
    butyronitrile 815.58
    3,7-dimethyl-1-octanol 471.27
    1-chlorooctane 294.09
    1-chlorotetradecane 109.92
    n-nonane 89.51
    undecane 57.88
    tert-butylcyclohexane 176.0
    cyclooctane 128.46
    cyclopentanol 1094.96
    tetrahydropyran 2050.29
    tert-amyl methyl ether 1075.64
    2,5,8-trioxanonane 872.85
    1-hexene 810.14
    2-isopropoxyethanol 648.84
    2,2,2-trifluoroethanol 283.63
    methyl butyrate 587.59

    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
Ambrette seed (China) 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 0.9%
Thyme (France) 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 6.0%