cis-Chrysanthenyl propionate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C13H20O2

    SMILES
    CCC(=O)OC1C2CC=C(C1C2(C)C)C

    Retention indicies (RI)

    • DB5: 1310.0
    • Carbowax: 1664.0

  • Odor profile

    Fruity 75.42%
    Herbal 71.42%
    Woody 60.79%
    Spicy 53.29%
    Mint 47.02%
    Pine 43.26%
    Sweet 42.31%
    Balsamic 40.01%
    Camphoreous 37.83%
    Fresh 34.67%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point est.
    105.01 ˚C

  • Synonyms

    • Chrysanthenyl propionate
    • cis-Chrysanthenyl propionate
    • IRFLZVJYCZYXNP-UHFFFAOYSA-N
    • Q67879779
    • (1R,5S,6R)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-yl propionate
    • Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, 6-propanoate, (1R,5S,6R)-rel-
    • Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, propanoate, (1R,5S,6R)-rel-
    • Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, propanoate, (1.alpha.,5.alpha.,6.alpha.)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 400.26
    methanol 448.31
    isopropanol 361.31
    water 5.47
    ethyl acetate 401.95
    n-propanol 339.08
    acetone 454.31
    n-butanol 346.43
    acetonitrile 397.65
    DMF 565.48
    toluene 435.89
    isobutanol 295.15
    1,4-dioxane 962.46
    methyl acetate 393.67
    THF 1081.13
    2-butanone 369.5
    n-pentanol 204.04
    sec-butanol 295.27
    n-hexane 35.18
    ethylene glycol 84.36
    NMP 553.94
    cyclohexane 113.05
    DMSO 264.84
    n-butyl acetate 330.53
    n-octanol 157.47
    chloroform 1841.28
    n-propyl acetate 225.3
    acetic acid 486.18
    dichloromethane 1246.5
    cyclohexanone 655.47
    propylene glycol 129.27
    isopropyl acetate 302.74
    DMAc 427.96
    2-ethoxyethanol 245.94
    isopentanol 333.38
    n-heptane 23.44
    ethyl formate 279.17
    1,2-dichloroethane 632.68
    n-hexanol 328.72
    2-methoxyethanol 454.76
    isobutyl acetate 186.34
    tetrachloromethane 258.61
    n-pentyl acetate 225.79
    transcutol 916.88
    n-heptanol 167.47
    ethylbenzene 190.88
    MIBK 256.75
    2-propoxyethanol 468.03
    tert-butanol 418.68
    MTBE 373.96
    2-butoxyethanol 281.31
    propionic acid 305.4
    o-xylene 250.58
    formic acid 199.96
    diethyl ether 349.8
    m-xylene 318.07
    p-xylene 296.41
    chlorobenzene 533.93
    dimethyl carbonate 196.28
    n-octane 12.16
    formamide 272.18
    cyclopentanone 640.99
    2-pentanone 325.35
    anisole 321.31
    cyclopentyl methyl ether 438.79
    gamma-butyrolactone 742.0
    1-methoxy-2-propanol 367.89
    pyridine 673.13
    3-pentanone 256.44
    furfural 669.07
    n-dodecane 13.28
    diethylene glycol 339.22
    diisopropyl ether 137.35
    tert-amyl alcohol 303.35
    acetylacetone 406.54
    n-hexadecane 15.65
    acetophenone 295.32
    methyl propionate 297.05
    isopentyl acetate 337.13
    trichloroethylene 1360.34
    n-nonanol 139.85
    cyclohexanol 386.72
    benzyl alcohol 261.44
    2-ethylhexanol 181.27
    isooctanol 137.19
    dipropyl ether 150.64
    1,2-dichlorobenzene 478.0
    ethyl lactate 124.08
    propylene carbonate 466.1
    n-methylformamide 293.97
    2-pentanol 246.85
    n-pentane 44.52
    1-propoxy-2-propanol 294.67
    1-methoxy-2-propyl acetate 354.39
    2-(2-methoxypropoxy) propanol 265.21
    mesitylene 188.45
    ε-caprolactone 567.79
    p-cymene 111.27
    epichlorohydrin 815.42
    1,1,1-trichloroethane 724.16
    2-aminoethanol 185.26
    morpholine-4-carbaldehyde 623.7
    sulfolane 542.53
    2,2,4-trimethylpentane 33.9
    2-methyltetrahydrofuran 686.93
    n-hexyl acetate 338.01
    isooctane 27.92
    2-(2-butoxyethoxy)ethanol 345.22
    sec-butyl acetate 195.93
    tert-butyl acetate 310.14
    decalin 52.25
    glycerin 174.87
    diglyme 556.03
    acrylic acid 295.21
    isopropyl myristate 123.25
    n-butyric acid 422.55
    acetyl acetate 348.34
    di(2-ethylhexyl) phthalate 140.46
    ethyl propionate 205.57
    nitromethane 591.37
    1,2-diethoxyethane 317.43
    benzonitrile 411.54
    trioctyl phosphate 99.07
    1-bromopropane 368.77
    gamma-valerolactone 834.59
    n-decanol 99.31
    triethyl phosphate 116.29
    4-methyl-2-pentanol 176.82
    propionitrile 324.74
    vinylene carbonate 510.5
    1,1,2-trichlorotrifluoroethane 509.48
    DMS 310.66
    cumene 136.27
    2-octanol 114.92
    2-hexanone 224.25
    octyl acetate 160.34
    limonene 142.56
    1,2-dimethoxyethane 445.25
    ethyl orthosilicate 119.07
    tributyl phosphate 121.72
    diacetone alcohol 293.25
    N,N-dimethylaniline 208.72
    acrylonitrile 370.12
    aniline 405.5
    1,3-propanediol 294.05
    bromobenzene 551.21
    dibromomethane 767.43
    1,1,2,2-tetrachloroethane 1032.15
    2-methyl-cyclohexyl acetate 208.82
    tetrabutyl urea 131.62
    diisobutyl methanol 106.52
    2-phenylethanol 320.54
    styrene 229.81
    dioctyl adipate 167.17
    dimethyl sulfate 244.3
    ethyl butyrate 204.68
    methyl lactate 170.21
    butyl lactate 179.91
    diethyl carbonate 162.01
    propanediol butyl ether 241.76
    triethyl orthoformate 161.4
    p-tert-butyltoluene 112.34
    methyl 4-tert-butylbenzoate 255.38
    morpholine 872.2
    tert-butylamine 274.7
    n-dodecanol 74.31
    dimethoxymethane 383.78
    ethylene carbonate 427.23
    cyrene 243.05
    2-ethoxyethyl acetate 313.23
    2-ethylhexyl acetate 266.67
    1,2,4-trichlorobenzene 547.17
    4-methylpyridine 710.08
    dibutyl ether 151.12
    2,6-dimethyl-4-heptanol 106.52
    DEF 330.1
    dimethyl isosorbide 419.48
    tetrachloroethylene 713.89
    eugenol 236.8
    triacetin 294.58
    span 80 232.2
    1,4-butanediol 104.54
    1,1-dichloroethane 732.61
    2-methyl-1-pentanol 215.8
    methyl formate 281.34
    2-methyl-1-butanol 297.14
    n-decane 22.49
    butyronitrile 361.45
    3,7-dimethyl-1-octanol 160.53
    1-chlorooctane 105.32
    1-chlorotetradecane 43.51
    n-nonane 18.87
    undecane 16.57
    tert-butylcyclohexane 43.68
    cyclooctane 36.17
    cyclopentanol 374.93
    tetrahydropyran 780.74
    tert-amyl methyl ether 244.77
    2,5,8-trioxanonane 357.35
    1-hexene 117.29
    2-isopropoxyethanol 201.87
    2,2,2-trifluoroethanol 230.09
    methyl butyrate 248.23

    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
Tanacetum parthenium (The Netherlands) Tanacetum parthenium (L.) Schultz-Bip. (Feverfew), Asteraceae (Compositae) 0.01%