cis-Chrysanthenyl acetate

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  • Identifiers

    CAS number
    50764-55-1

    Molecular formula
    C12H18O2

    SMILES
    CC1=CC[C@@H]2C([C@H]1C2(C)C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1262.0
    • Carbowax: 1590.0

  • Odor profile

    Herbal 81.38%
    Fruity 70.26%
    Woody 60.8%
    Spicy 60.46%
    Mint 55.22%
    Sweet 48.01%
    Pine 47.74%
    Fresh 44.82%
    Camphoreous 43.87%
    Balsamic 40.66%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    223°C

    Flash point est.
    101.73 ˚C

  • Synonyms

    • cis-Chrysanthenyl acetate
    • Chrysanthenyl acetate (cis)
    • Q67879791

  • Applications

    trans-Chrysanthenyl acetate (CAS 50764-55-1) is a monoterpene ester with a fresh, herbal, slightly camphoraceous scent; it is used primarily as a fragrance ingredient in fine fragrance, personal care, and home-care cleaners to add green/herbal brightness, and occasionally (where permitted) at very low levels as a flavor nuance; in R&D it serves as a GC–MS reference for essential-oil profiling, a stereodefined building block in organic synthesis and asymmetric catalysis studies, a model for olfaction and monoterpene metabolism, and for assessing stability/biodegradation in formulations; at industrial scale it may be microencapsulated for slow release in air-care and hygiene products or employed as an intermediate/odor rebalancer in candles, air fresheners, and deodorizing bases, with use guided by volatility, base compatibility, and safety constraints for fragrant esters.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.63
    methanol 143.54
    isopropanol 89.74
    water 4.4
    ethyl acetate 146.37
    n-propanol 91.02
    acetone 163.1
    n-butanol 85.85
    acetonitrile 193.82
    DMF 265.08
    toluene 136.98
    isobutanol 78.08
    1,4-dioxane 416.73
    methyl acetate 168.97
    THF 463.15
    2-butanone 133.43
    n-pentanol 56.21
    sec-butanol 76.34
    n-hexane 9.5
    ethylene glycol 41.47
    NMP 293.01
    cyclohexane 31.29
    DMSO 123.36
    n-butyl acetate 113.96
    n-octanol 67.37
    chloroform 649.66
    n-propyl acetate 83.25
    acetic acid 146.38
    dichloromethane 490.05
    cyclohexanone 240.13
    propylene glycol 62.32
    isopropyl acetate 95.97
    DMAc 206.75
    2-ethoxyethanol 76.55
    isopentanol 78.8
    n-heptane 10.99
    ethyl formate 114.21
    1,2-dichloroethane 200.67
    n-hexanol 115.1
    2-methoxyethanol 181.07
    isobutyl acetate 68.56
    tetrachloromethane 89.06
    n-pentyl acetate 83.06
    transcutol 314.82
    n-heptanol 60.91
    ethylbenzene 71.26
    MIBK 88.06
    2-propoxyethanol 191.99
    tert-butanol 119.65
    MTBE 94.45
    2-butoxyethanol 106.89
    propionic acid 117.59
    o-xylene 100.12
    formic acid 70.47
    diethyl ether 84.02
    m-xylene 114.61
    p-xylene 107.21
    chlorobenzene 196.32
    dimethyl carbonate 87.9
    n-octane 5.91
    formamide 110.46
    cyclopentanone 287.48
    2-pentanone 103.78
    anisole 134.21
    cyclopentyl methyl ether 158.87
    gamma-butyrolactone 352.71
    1-methoxy-2-propanol 149.72
    pyridine 248.07
    3-pentanone 91.2
    furfural 309.96
    n-dodecane 7.61
    diethylene glycol 156.11
    diisopropyl ether 39.42
    tert-amyl alcohol 87.64
    acetylacetone 159.13
    n-hexadecane 8.72
    acetophenone 128.17
    methyl propionate 124.58
    isopentyl acetate 113.59
    trichloroethylene 448.63
    n-nonanol 62.39
    cyclohexanol 117.95
    benzyl alcohol 111.79
    2-ethylhexanol 73.7
    isooctanol 51.06
    dipropyl ether 62.19
    1,2-dichlorobenzene 191.16
    ethyl lactate 63.56
    propylene carbonate 229.22
    n-methylformamide 141.63
    2-pentanol 61.38
    n-pentane 11.58
    1-propoxy-2-propanol 130.8
    1-methoxy-2-propyl acetate 146.93
    2-(2-methoxypropoxy) propanol 132.67
    mesitylene 71.12
    ε-caprolactone 235.75
    p-cymene 57.55
    epichlorohydrin 345.8
    1,1,1-trichloroethane 244.17
    2-aminoethanol 71.74
    morpholine-4-carbaldehyde 314.21
    sulfolane 276.08
    2,2,4-trimethylpentane 10.86
    2-methyltetrahydrofuran 260.15
    n-hexyl acetate 137.15
    isooctane 8.96
    2-(2-butoxyethoxy)ethanol 157.24
    sec-butyl acetate 69.6
    tert-butyl acetate 104.78
    decalin 18.72
    glycerin 86.25
    diglyme 240.98
    acrylic acid 116.39
    isopropyl myristate 61.96
    n-butyric acid 130.59
    acetyl acetate 144.21
    di(2-ethylhexyl) phthalate 76.52
    ethyl propionate 86.63
    nitromethane 247.47
    1,2-diethoxyethane 110.81
    benzonitrile 174.42
    trioctyl phosphate 53.8
    1-bromopropane 109.94
    gamma-valerolactone 365.8
    n-decanol 50.15
    triethyl phosphate 62.02
    4-methyl-2-pentanol 51.77
    propionitrile 130.75
    vinylene carbonate 247.34
    1,1,2-trichlorotrifluoroethane 210.76
    DMS 140.63
    cumene 54.33
    2-octanol 44.7
    2-hexanone 82.49
    octyl acetate 79.9
    limonene 70.82
    1,2-dimethoxyethane 160.32
    ethyl orthosilicate 58.85
    tributyl phosphate 63.51
    diacetone alcohol 120.18
    N,N-dimethylaniline 91.01
    acrylonitrile 169.07
    aniline 149.73
    1,3-propanediol 101.22
    bromobenzene 204.33
    dibromomethane 279.73
    1,1,2,2-tetrachloroethane 325.28
    2-methyl-cyclohexyl acetate 104.64
    tetrabutyl urea 75.35
    diisobutyl methanol 44.31
    2-phenylethanol 149.12
    styrene 79.44
    dioctyl adipate 87.99
    dimethyl sulfate 121.75
    ethyl butyrate 92.68
    methyl lactate 86.84
    butyl lactate 80.73
    diethyl carbonate 80.7
    propanediol butyl ether 109.95
    triethyl orthoformate 75.47
    p-tert-butyltoluene 56.33
    methyl 4-tert-butylbenzoate 129.15
    morpholine 344.64
    tert-butylamine 81.74
    n-dodecanol 40.02
    dimethoxymethane 169.4
    ethylene carbonate 195.56
    cyrene 140.75
    2-ethoxyethyl acetate 120.18
    2-ethylhexyl acetate 96.98
    1,2,4-trichlorobenzene 223.94
    4-methylpyridine 259.19
    dibutyl ether 57.84
    2,6-dimethyl-4-heptanol 44.31
    DEF 120.17
    dimethyl isosorbide 232.45
    tetrachloroethylene 211.45
    eugenol 121.75
    triacetin 140.46
    span 80 123.4
    1,4-butanediol 40.64
    1,1-dichloroethane 238.19
    2-methyl-1-pentanol 62.26
    methyl formate 140.14
    2-methyl-1-butanol 74.76
    n-decane 10.89
    butyronitrile 127.84
    3,7-dimethyl-1-octanol 71.44
    1-chlorooctane 44.41
    1-chlorotetradecane 22.07
    n-nonane 9.29
    undecane 8.96
    tert-butylcyclohexane 16.39
    cyclooctane 11.66
    cyclopentanol 136.8
    tetrahydropyran 248.9
    tert-amyl methyl ether 73.1
    2,5,8-trioxanonane 186.91
    1-hexene 32.59
    2-isopropoxyethanol 69.09
    2,2,2-trifluoroethanol 88.57
    methyl butyrate 100.57

    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
Artemisia vestita (India) Artemisia vestita Wall. ex Dc., fam. Asteraceae (Compositae) 1.19%
Ducrosia anethifolia (Pakistan) Ducrosia anethifolia (DC.) Boiss., fam. Apiaceae (Umbelliferae) 56.6%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 0.7%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.4%
Hypericum chinense (China) Hypericum chinense L., fam. Guttiferea (Hypericaceae) 0.51%
Artemisia moorcroftiana Artemisia moorcroftiana, fam. Asteraceae (Compositae) 0.65%
Annual wormwood (Vietnam) 2a 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.3%
Annual wormwood (Vietnam) 2b 84775-74-6 Annua artemisia L., fam. Asteraceae (Compositae) 0.2%
Artemisia umbelliformis (Italy) Artemisia umbelliformis Lam., fam. Asteraceae (Compositae) 0.01%
Artemisia campestris (Italy) 1 Artemisia campestris L. ssp. borealis (Pallas), H.M. Hall et Clements 0.01%
Artemisia genipi (Italy) Artemisia genipi Weber, fam. Asteraceae (Compositae) 0.01%
Artemisia petrosa (Italy) Artemisia petrosa Baumg. ssp. eriantha Ten., fam. Asteraceae (Compositae) 0.01%
Artemisia vallesiaca (Italy) Artemisia vallesiaca All., fam. Asteraceae (Compositae) 0.01%
Wormwood (Mugwort) (Italy) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.01%
Artemisia chamaemelifolia (Italy) Artemisia chamaemelifolia Vill., fam. Asteraceae (Compositae) 0.01%
Artemisia glacialis (Italy) Artemisia glacialis L., fam. Asteraceae (Compositae) 0.01%
Artemisia campestris (Italy) 2 Artemisia campestris L. ssp. campestris, fam. Asteraceae (Compositae) 0.01%
Artemisia alba (Italy) 84775-75-7 Artemisia alba Turra, fam. Asteraceae (Compositae) 0.01%
Artemisia abrotanum (Italy) Artemisia abrotanum L., fam. Asteraceae (Compositae) 0.01%
Annual wormwood (Italy) Artemisia annua L., fam. Asteraceae (Compositae) 0.01%
Artemisia verlotiorum (Italy) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Armoise (Italy) 8008-93-3 Artemisia vulgaris L., fam. Asteraceae (Compositae) 0.2%
Yarrow flower 84082-83-7 Achillea millefolium L. ssp. millefolium, fam. Asteraceae (Compositae) 2.5%
Yarrow leaf A 84082-83-7 Achillea millefolium L. ssp. millefolium, fam. Asteraceae (Compositae) 0.4%
Wormwood (Mugwort) Spain 2a leaf 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 32.6%
Wormwood (Mugwort) Spain 2b flowering top 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 43.0%
Balsamite/Costmary (Lithuania) 1a Chrysanthemum balsamita L., fam. Asteraceae (Compositae) 0.6%
Balsamite/Costmary (Lithuania) 1b Chrysanthemum balsamita L., fam. Asteraceae (Compositae) 0.65%
Artemisia coerulescens Artemisia coerulescens L. var. palmata Lam., fam. Asteraceae (Compsitae) 0.3%
Artemisia diffusa (Iran) 2 Artemisia diffusa Krasch. ex Poljak., fam. Asteraceae (Compositae) 0.4%
Yarrow (India) 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 7.6%
Galbanum stem (Iran) 9000-24-2 Ferula galbaniflua Boiss. et Buhse, fam. Apiaceae (Umbelliferae) 6.1%
Tanacetum khorassanicum (Iran) Tanacetum khorassanicum (Krasch.) Parsa, fam. Asteraceae (Compositae) 1.8%
Cachrys sicula (Spain) Cachrys sicula L., fam. Apiaceae (Umbelliferae) 0.05%
Croton jimenezii (Costa Rica) Croton jimenezii Standl. et Valerio, fam. Euphorbiaceae 1.55%
Armoise (Algeria) 1b thujone type 8008-93-3 Artemisia herba-albe Asso, fam. Asteraceae (Compositae) 0.26%
Armoise (Spain) ssp. valentina 8008-93-3 Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl., fam. Asteraceae 5.6%
Armoise (Algeria) 1a camphor type 8008-93-3 Artemisia herba-alba Asso, fam. Asteraceae (Compositae) 0.23%