(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate

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  • Identifiers

    CAS number
    35670-93-0

    Molecular formula
    C12H18O2

    SMILES
    CC(=O)OCC1=CCC2CC1C2(C)C

    Retention indicies (RI)

    • DB5: 1339.0
    • Carbowax: 1690.0

  • Odor profile

    Fruity 86.13%
    Herbal 84.9%
    Woody 80.34%
    Sweet 77.13%
    Spicy 60.77%
    Pine 57.83%
    Floral 56.41%
    Fresh 54.83%
    Green 53.31%
    Mint 53.23%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point est.
    103.64 ˚C

  • Synonyms

    • Myrtenyl acetate
    • 35670-93-0
    • EINECS 252-663-2
    • Fema 3765
    • DTXSID20862526
    • (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate
    • (6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate
    • {6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL}METHYL ACETATE
    • Bicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, acetate
    • (+/-)-Myrtenyl acetate
    • SCHEMBL112577
    • DTXCID00811274
    • (-)-Myrtenyl acetate, >=95%
    • (-)-Myrtenyl acetate, analytical standard
    • NS00013019
    • 252-663-2

  • Applications

    In the fragrance industry, (6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)methyl acetate (CAS 35670-93-0) is valued for fresh woody–pine, slightly camphoraceous facets that lift top notes and extend substantivity in fine fragrances, soaps, detergents, deodorants and air care; in consumer products it serves as a masking and odor-modifying ingredient for hard-surface cleaners, fabric care and scented candles, and as a low-odor carrier/co-solvent for essential-oil concentrates and personal care thanks to moderate volatility; in flavors, where permitted by local regulations, it may be employed at trace levels to add terpenic, minty–pine nuances to confectionery, chewing gum and beverages; in organic synthesis and materials it acts as a building block for related terpene/acetate derivatives and suits microencapsulation and controlled-release systems due to good stability and compatibility with ethanol, isopropanol, vegetable oils and many fragrance resins.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 503.39
    methanol 512.3
    isopropanol 415.98
    water 4.99
    ethyl acetate 566.93
    n-propanol 439.34
    acetone 549.41
    n-butanol 388.72
    acetonitrile 448.42
    DMF 719.94
    toluene 375.14
    isobutanol 306.72
    1,4-dioxane 1069.13
    methyl acetate 498.8
    THF 919.63
    2-butanone 447.32
    n-pentanol 182.49
    sec-butanol 286.1
    n-hexane 20.0
    ethylene glycol 161.57
    NMP 360.64
    cyclohexane 53.52
    DMSO 372.54
    n-butyl acetate 242.58
    n-octanol 81.78
    chloroform 1627.94
    n-propyl acetate 206.95
    acetic acid 366.38
    dichloromethane 962.14
    cyclohexanone 434.0
    propylene glycol 208.83
    isopropyl acetate 345.4
    DMAc 544.66
    2-ethoxyethanol 355.05
    isopentanol 328.98
    n-heptane 9.55
    ethyl formate 267.92
    1,2-dichloroethane 611.25
    n-hexanol 241.2
    2-methoxyethanol 691.08
    isobutyl acetate 147.02
    tetrachloromethane 192.28
    n-pentyl acetate 131.94
    transcutol 1429.66
    n-heptanol 95.86
    ethylbenzene 153.9
    MIBK 249.08
    2-propoxyethanol 500.55
    tert-butanol 480.74
    MTBE 438.79
    2-butoxyethanol 243.02
    propionic acid 308.37
    o-xylene 195.97
    formic acid 248.12
    diethyl ether 455.27
    m-xylene 255.52
    p-xylene 189.12
    chlorobenzene 414.2
    dimethyl carbonate 265.98
    n-octane 4.1
    formamide 413.33
    cyclopentanone 473.37
    2-pentanone 375.98
    anisole 361.79
    cyclopentyl methyl ether 382.71
    gamma-butyrolactone 526.39
    1-methoxy-2-propanol 549.78
    pyridine 626.0
    3-pentanone 294.07
    furfural 572.16
    n-dodecane 3.85
    diethylene glycol 462.18
    diisopropyl ether 128.62
    tert-amyl alcohol 311.0
    acetylacetone 451.83
    n-hexadecane 4.65
    acetophenone 257.39
    methyl propionate 411.34
    isopentyl acetate 230.24
    trichloroethylene 1281.6
    n-nonanol 76.71
    cyclohexanol 280.33
    benzyl alcohol 244.38
    2-ethylhexanol 103.22
    isooctanol 77.49
    dipropyl ether 114.41
    1,2-dichlorobenzene 352.57
    ethyl lactate 132.02
    propylene carbonate 337.52
    n-methylformamide 447.99
    2-pentanol 236.99
    n-pentane 28.39
    1-propoxy-2-propanol 290.62
    1-methoxy-2-propyl acetate 394.93
    2-(2-methoxypropoxy) propanol 255.87
    mesitylene 142.64
    ε-caprolactone 415.49
    p-cymene 67.37
    epichlorohydrin 837.97
    1,1,1-trichloroethane 628.23
    2-aminoethanol 297.56
    morpholine-4-carbaldehyde 635.91
    sulfolane 388.56
    2,2,4-trimethylpentane 16.55
    2-methyltetrahydrofuran 596.88
    n-hexyl acetate 199.65
    isooctane 16.19
    2-(2-butoxyethoxy)ethanol 376.39
    sec-butyl acetate 179.5
    tert-butyl acetate 326.0
    decalin 25.97
    glycerin 282.83
    diglyme 667.11
    acrylic acid 290.69
    isopropyl myristate 68.94
    n-butyric acid 380.91
    acetyl acetate 356.15
    di(2-ethylhexyl) phthalate 84.75
    ethyl propionate 215.32
    nitromethane 625.54
    1,2-diethoxyethane 352.05
    benzonitrile 300.37
    trioctyl phosphate 53.86
    1-bromopropane 324.88
    gamma-valerolactone 712.77
    n-decanol 53.11
    triethyl phosphate 87.46
    4-methyl-2-pentanol 162.41
    propionitrile 356.25
    vinylene carbonate 381.43
    1,1,2-trichlorotrifluoroethane 574.18
    DMS 269.01
    cumene 97.01
    2-octanol 56.49
    2-hexanone 183.14
    octyl acetate 89.37
    limonene 79.08
    1,2-dimethoxyethane 527.49
    ethyl orthosilicate 87.04
    tributyl phosphate 71.0
    diacetone alcohol 366.33
    N,N-dimethylaniline 197.56
    acrylonitrile 436.8
    aniline 446.07
    1,3-propanediol 411.02
    bromobenzene 412.93
    dibromomethane 630.82
    1,1,2,2-tetrachloroethane 1051.8
    2-methyl-cyclohexyl acetate 131.76
    tetrabutyl urea 80.01
    diisobutyl methanol 67.81
    2-phenylethanol 257.46
    styrene 195.68
    dioctyl adipate 101.52
    dimethyl sulfate 291.39
    ethyl butyrate 159.34
    methyl lactate 240.7
    butyl lactate 134.72
    diethyl carbonate 128.49
    propanediol butyl ether 232.65
    triethyl orthoformate 123.53
    p-tert-butyltoluene 71.3
    methyl 4-tert-butylbenzoate 186.24
    morpholine 1058.72
    tert-butylamine 297.33
    n-dodecanol 38.04
    dimethoxymethane 576.87
    ethylene carbonate 329.58
    cyrene 195.05
    2-ethoxyethyl acetate 274.01
    2-ethylhexyl acetate 172.65
    1,2,4-trichlorobenzene 422.08
    4-methylpyridine 643.85
    dibutyl ether 89.11
    2,6-dimethyl-4-heptanol 67.81
    DEF 354.33
    dimethyl isosorbide 349.49
    tetrachloroethylene 635.15
    eugenol 190.94
    triacetin 231.4
    span 80 177.99
    1,4-butanediol 122.75
    1,1-dichloroethane 721.64
    2-methyl-1-pentanol 173.5
    methyl formate 318.85
    2-methyl-1-butanol 278.67
    n-decane 6.63
    butyronitrile 319.82
    3,7-dimethyl-1-octanol 102.52
    1-chlorooctane 43.57
    1-chlorotetradecane 16.27
    n-nonane 5.66
    undecane 4.89
    tert-butylcyclohexane 21.82
    cyclooctane 17.48
    cyclopentanol 265.93
    tetrahydropyran 737.47
    tert-amyl methyl ether 255.28
    2,5,8-trioxanonane 398.15
    1-hexene 81.46
    2-isopropoxyethanol 246.75
    2,2,2-trifluoroethanol 217.22
    methyl butyrate 236.59

    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
Juniper berry 1 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 20.0%
Myrtle leaf, cultivated (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 32.9%
Myrtle leaf, wildgrowing (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 35.9%
Pteronia incana 2 Pteronia incana, fam. Asteraceae (Compositae) 0.1%
Melittis melissophyllum Melittis melissophylum L., ssp. albida Guss, fam. Lamiaceae (Labiatae) 0.28%
Juniperus martinezii Juniperus martinezii Perez de la Rosa, fam. Cupressaceae 0.5%
Juniperus flaccida var. poblana Juniperus flaccida var. poblana Martinez, fam. Cupressaceae 0.05%
Eucalyptus pellita Eucalyptus pellita Benth., fam. Myrtaceae 0.22%
Myrtle flower (Morocco) 8008-46-6 Myrtus communis L., fam. Myrtaceae 1.0%
Myrtle leaf (Morocco) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 8.9%
Myrtle green fruits (Morocco) 8008-46-6 Myrtus communis L., fam. Myrtaceae 4.0%
Myrtle mature fruits (Morocco) 8008-46-6 Myrtus communis L., fam. Myrtaceae 22.5%
Myrtle leaf (Morocco), var. italica 8008-46-6 Myrtus communis L. var. italica, fam. Myrtaceae 22.0%
Myrtle leaf (Morocco), var. baetica 8008-46-6 Myrtus communis L. var. baetica, fam. Myrtaceae 23.6%
Myrtle leaf (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 35.9%
Myrtle flower (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 23.55%
Myrtle unripe fruits (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 33.0%
Myrtle ripe fruits (Spain) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.08%
Egletes viscosa (flower heads) Egletes viscosa Less., fam. Asteraceae (Compositae) 6.5%
Armoise (Morocco) 8008-93-3 Artemisia herba-alba Asso, fam. Asteraceae (Compositae) 0.05%
Juniper leaf (Canada) 8012-91-7 Juniperus communis L., fam. Cupressaceae 1.25%
Myrtle leaf (Morocco) 3 8008-46-6 Myrtus communis L., fam. Myrtaceae 16.06%
Myrtle leaf (Albania) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 16.08%
Myrtle leaf (Morocco) 4 8008-46-6 Myrtus communis L., fam. Myrtaceae 18.0%
Myrtle leaf (Tunisia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.23%
Myrtle leaf (Yugoslavia) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 14.55%
Myrtle leaf (Lebanon) 8008-46-6 Myrtus communis L., fam. Myrtaceae 2.04%
Myrtle leaf (France) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.41%
Zingiber zerumbet (Vietnam) 2a stem Zingiber zerumbet (L.) Sm., fam. Zingiberaceae 0.1%
Zingiber zerumbet (Vietnam) 2b leaf Zingiber zerumbet (L.) Sm., fam. Zingiberaceae 0.05%
Aegle marmelos leaf (India) 2 Aegle marmelos (L.) Correa, fam. Rutaceae 0.32%
Myrtle leaf (Turkey) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 2.2%
Myrtle leaf (France) 3 8008-46-6 Myrtus communis L., fam. Myrtaceae 16.0%
Rose (Bulgaria) 4a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.5%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.5%
Cistus (France) 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.4%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.1%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.2%
Myrtle leaf (Albania) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 11.8%
Myrtle flower (Albania) 8008-46-6 Myrtus communis L., fam. Myrtaceae 17.25%
Myrtle berry (Albania) 8008-46-6 Myrtus communis L., fam. Myrtaceae 15.42%
Myrtle leaf (Yugoslavia) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 13.4%
Guava leaf 4 Psidium guajava L., fam. Myrtaceae 0.01%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 12.65%
Eucalyptus camaldulensis (Egypt) fruit Eucalyptus camaldulensis Dehn. var. brevirostris, fam. Myrtaceae 0.15%
Armoise (Israel) 8008-93-3 Artemisia herba-alba Asso, fam. Asteraceae (Compositae) 0.03%
Peppermint (Mexico) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.01%
Myrtle leaf (Croatia) 8008-46-6 Myrtus communis L., fam. Myrtaceae 23.0%