Myrtanyl acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    29021-36-1

    Molecular formula
    C12H20O2

    SMILES
    CC(=O)OCC1CCC2CC1C2(C)C

    Retention indicies (RI)

    • DB5: 1381.0

  • Odor profile

    Fruity 89.38%
    Herbal 77.74%
    Sweet 73.12%
    Woody 72.4%
    Floral 54.53%
    Pine 52.86%
    Fresh 47.85%
    Mint 45.89%
    Spicy 45.53%
    Balsamic 43.48%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.3 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    251°C

    Flash point est.
    96.75 ˚C

  • Synonyms

    • Myrtanyl acetate
    • 29021-36-1
    • (6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl acetate
    • (6,6-dimethyl-2-bicyclo(3.1.1)heptanyl)methyl acetate
    • EINECS 249-371-2
    • (-)-cis-Myrtanyl acetate
    • (6,6-Dimethylbicyclo(3.1.1)hept-2-yl)methyl acetate
    • SCHEMBL11200423
    • DTXSID30865462
    • NS00051936
    • (6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)methyl acetate
    • (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methyl acetate #

  • Applications

    Myrtanyl acetate (CAS 29021-36-1) is a fragrance ingredient with a fresh woody-pine, herbal, slightly camphoraceous profile, widely used in perfumery (eau de cologne, fougère, chypre, marine and masculine accords) to brighten top notes, bridge citrus with conifer/minty facets and enrich the heart; it is also incorporated into personal- and home-care products such as soaps, shampoos, shower gels, deodorants, fabric softeners, laundry detergents, surface cleaners, air-care sprays, scented candles and malodor control, owing to its pleasant diffusion and good compatibility with citrus, lavender, rosemary, eucalyptus, mint, fir needle and aldehydes; additional uses include technical odor masking in coatings, rubber and automotive care, and use as a reference material for stability/compatibility studies and fragrance analytics, with adherence to IFRA/local regulations and verification of odor/color stability under alkaline, oxidative and high-temperature conditions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 884.94
    methanol 961.96
    isopropanol 764.35
    water 11.6
    ethyl acetate 1060.72
    n-propanol 775.1
    acetone 1036.62
    n-butanol 688.94
    acetonitrile 810.19
    DMF 992.16
    toluene 561.88
    isobutanol 524.71
    1,4-dioxane 1856.97
    methyl acetate 807.12
    THF 1739.17
    2-butanone 707.67
    n-pentanol 294.43
    sec-butanol 450.91
    n-hexane 41.1
    ethylene glycol 273.35
    NMP 507.49
    cyclohexane 113.04
    DMSO 602.23
    n-butyl acetate 477.38
    n-octanol 135.49
    chloroform 2705.95
    n-propyl acetate 371.97
    acetic acid 746.88
    dichloromethane 1637.94
    cyclohexanone 808.2
    propylene glycol 306.59
    isopropyl acetate 667.14
    DMAc 649.59
    2-ethoxyethanol 537.68
    isopentanol 568.49
    n-heptane 18.7
    ethyl formate 513.45
    1,2-dichloroethane 1172.35
    n-hexanol 420.67
    2-methoxyethanol 1123.47
    isobutyl acetate 263.81
    tetrachloromethane 380.69
    n-pentyl acetate 228.52
    transcutol 2181.69
    n-heptanol 160.98
    ethylbenzene 225.74
    MIBK 418.71
    2-propoxyethanol 817.94
    tert-butanol 828.45
    MTBE 797.68
    2-butoxyethanol 376.75
    propionic acid 573.67
    o-xylene 289.34
    formic acid 464.35
    diethyl ether 839.78
    m-xylene 383.84
    p-xylene 288.35
    chlorobenzene 717.09
    dimethyl carbonate 391.68
    n-octane 7.63
    formamide 714.6
    cyclopentanone 885.59
    2-pentanone 643.23
    anisole 509.48
    cyclopentyl methyl ether 675.59
    gamma-butyrolactone 1080.5
    1-methoxy-2-propanol 863.7
    pyridine 1003.27
    3-pentanone 469.78
    furfural 995.34
    n-dodecane 6.59
    diethylene glycol 715.36
    diisopropyl ether 246.88
    tert-amyl alcohol 483.76
    acetylacetone 790.13
    n-hexadecane 7.97
    acetophenone 372.99
    methyl propionate 674.35
    isopentyl acetate 434.11
    trichloroethylene 2094.44
    n-nonanol 124.39
    cyclohexanol 478.03
    benzyl alcohol 354.12
    2-ethylhexanol 176.1
    isooctanol 124.6
    dipropyl ether 207.69
    1,2-dichlorobenzene 590.12
    ethyl lactate 194.97
    propylene carbonate 643.82
    n-methylformamide 800.08
    2-pentanol 402.72
    n-pentane 55.21
    1-propoxy-2-propanol 471.59
    1-methoxy-2-propyl acetate 668.85
    2-(2-methoxypropoxy) propanol 353.46
    mesitylene 231.43
    ε-caprolactone 775.79
    p-cymene 108.21
    epichlorohydrin 1498.21
    1,1,1-trichloroethane 1175.52
    2-aminoethanol 488.23
    morpholine-4-carbaldehyde 929.67
    sulfolane 715.0
    2,2,4-trimethylpentane 29.7
    2-methyltetrahydrofuran 1056.45
    n-hexyl acetate 332.97
    isooctane 30.42
    2-(2-butoxyethoxy)ethanol 534.46
    sec-butyl acetate 313.51
    tert-butyl acetate 588.43
    decalin 43.52
    glycerin 424.86
    diglyme 985.19
    acrylic acid 521.35
    isopropyl myristate 109.99
    n-butyric acid 763.86
    acetyl acetate 659.22
    di(2-ethylhexyl) phthalate 124.48
    ethyl propionate 356.01
    nitromethane 1199.05
    1,2-diethoxyethane 596.61
    benzonitrile 501.83
    trioctyl phosphate 81.99
    1-bromopropane 587.93
    gamma-valerolactone 1327.22
    n-decanol 84.55
    triethyl phosphate 133.18
    4-methyl-2-pentanol 264.42
    propionitrile 631.56
    vinylene carbonate 685.75
    1,1,2-trichlorotrifluoroethane 909.24
    DMS 400.67
    cumene 146.75
    2-octanol 93.05
    2-hexanone 307.9
    octyl acetate 139.49
    limonene 126.39
    1,2-dimethoxyethane 856.94
    ethyl orthosilicate 138.44
    tributyl phosphate 113.13
    diacetone alcohol 570.83
    N,N-dimethylaniline 269.01
    acrylonitrile 737.63
    aniline 683.42
    1,3-propanediol 699.62
    bromobenzene 711.12
    dibromomethane 1078.94
    1,1,2,2-tetrachloroethane 1756.18
    2-methyl-cyclohexyl acetate 211.04
    tetrabutyl urea 116.94
    diisobutyl methanol 117.66
    2-phenylethanol 392.43
    styrene 288.33
    dioctyl adipate 157.52
    dimethyl sulfate 414.1
    ethyl butyrate 282.95
    methyl lactate 357.96
    butyl lactate 221.69
    diethyl carbonate 216.87
    propanediol butyl ether 331.48
    triethyl orthoformate 206.83
    p-tert-butyltoluene 113.57
    methyl 4-tert-butylbenzoate 279.0
    morpholine 1720.74
    tert-butylamine 540.69
    n-dodecanol 59.26
    dimethoxymethane 886.62
    ethylene carbonate 630.52
    cyrene 251.7
    2-ethoxyethyl acetate 435.35
    2-ethylhexyl acetate 317.07
    1,2,4-trichlorobenzene 683.74
    4-methylpyridine 983.34
    dibutyl ether 159.13
    2,6-dimethyl-4-heptanol 117.66
    DEF 548.46
    dimethyl isosorbide 506.83
    tetrachloroethylene 1150.46
    eugenol 272.4
    triacetin 351.52
    span 80 255.65
    1,4-butanediol 199.01
    1,1-dichloroethane 1291.32
    2-methyl-1-pentanol 260.55
    methyl formate 575.46
    2-methyl-1-butanol 433.99
    n-decane 11.88
    butyronitrile 606.3
    3,7-dimethyl-1-octanol 163.32
    1-chlorooctane 77.48
    1-chlorotetradecane 26.58
    n-nonane 10.49
    undecane 8.5
    tert-butylcyclohexane 37.45
    cyclooctane 33.82
    cyclopentanol 486.93
    tetrahydropyran 1365.39
    tert-amyl methyl ether 409.88
    2,5,8-trioxanonane 568.37
    1-hexene 154.5
    2-isopropoxyethanol 371.21
    2,2,2-trifluoroethanol 422.79
    methyl butyrate 412.21

    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
Rosemary (Japan) 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.2%