Chrysanthenyl isovalerate

  • Identifiers

    Molecular formula
    C15H24O2

    SMILES
    CC1=CCC2C(C1C2(C)C)OC(=O)CC(C)C

    Retention indicies (RI)

    • DB5: 1449.0
    • Carbowax: 1724.0
  • Odor profile

    Herbal 82.0%
    Fruity 74.62%
    Mint 55.18%
    Woody 55.03%
    Spicy 50.39%
    Balsamic 45.11%
    Pine 43.74%
    Sweet 38.05%
    Camphoreous 36.85%
    Cooling 35.49%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    271°C

    Flash point est.
    109.77 ˚C

  • Synonyms

    • Chrysanthenyl isovalerate
    • VCFDIPBWQNPUTA-UHFFFAOYSA-N
  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 527.13
    methanol 419.26
    isopropanol 547.15
    water 2.36
    ethyl acetate 631.55
    n-propanol 458.91
    acetone 657.93
    n-butanol 465.6
    acetonitrile 481.28
    DMF 696.32
    toluene 477.59
    isobutanol 414.02
    1,4-dioxane 1252.6
    methyl acetate 534.48
    THF 1680.29
    2-butanone 545.49
    n-pentanol 290.03
    sec-butanol 460.05
    n-hexane 88.63
    ethylene glycol 97.94
    NMP 832.02
    cyclohexane 203.44
    DMSO 385.43
    n-butyl acetate 612.99
    n-octanol 304.04
    chloroform 2150.39
    n-propyl acetate 360.36
    acetic acid 722.25
    dichloromethane 1500.92
    cyclohexanone 945.58
    propylene glycol 212.41
    isopropyl acetate 496.56
    DMAc 576.51
    2-ethoxyethanol 342.24
    isopentanol 485.97
    n-heptane 61.62
    ethyl formate 366.06
    1,2-dichloroethane 905.89
    n-hexanol 571.49
    2-methoxyethanol 586.18
    isobutyl acetate 303.17
    tetrachloromethane 321.73
    n-pentyl acetate 395.32
    transcutol 1593.71
    n-heptanol 275.17
    ethylbenzene 263.0
    MIBK 411.35
    2-propoxyethanol 724.25
    tert-butanol 628.55
    MTBE 598.76
    2-butoxyethanol 423.13
    propionic acid 447.83
    o-xylene 323.86
    formic acid 228.28
    diethyl ether 522.47
    m-xylene 411.72
    p-xylene 371.35
    chlorobenzene 721.07
    dimethyl carbonate 261.71
    n-octane 32.41
    formamide 276.63
    cyclopentanone 958.51
    2-pentanone 515.92
    anisole 412.79
    cyclopentyl methyl ether 750.35
    gamma-butyrolactone 1091.69
    1-methoxy-2-propanol 570.07
    pyridine 815.0
    3-pentanone 396.83
    furfural 865.16
    n-dodecane 32.03
    diethylene glycol 479.66
    diisopropyl ether 267.21
    tert-amyl alcohol 492.42
    acetylacetone 606.25
    n-hexadecane 37.6
    acetophenone 376.53
    methyl propionate 460.93
    isopentyl acetate 638.37
    trichloroethylene 1824.24
    n-nonanol 273.3
    cyclohexanol 587.79
    benzyl alcohol 339.33
    2-ethylhexanol 345.59
    isooctanol 239.06
    dipropyl ether 290.78
    1,2-dichlorobenzene 634.8
    ethyl lactate 205.23
    propylene carbonate 736.52
    n-methylformamide 363.26
    2-pentanol 403.41
    n-pentane 91.52
    1-propoxy-2-propanol 556.59
    1-methoxy-2-propyl acetate 631.32
    2-(2-methoxypropoxy) propanol 452.53
    mesitylene 272.85
    ε-caprolactone 900.42
    p-cymene 185.97
    epichlorohydrin 1271.55
    1,1,1-trichloroethane 1065.38
    2-aminoethanol 240.4
    morpholine-4-carbaldehyde 858.72
    sulfolane 889.01
    2,2,4-trimethylpentane 67.36
    2-methyltetrahydrofuran 1137.98
    n-hexyl acetate 630.2
    isooctane 64.02
    2-(2-butoxyethoxy)ethanol 610.13
    sec-butyl acetate 308.97
    tert-butyl acetate 538.02
    decalin 101.18
    glycerin 255.94
    diglyme 875.44
    acrylic acid 392.45
    isopropyl myristate 245.19
    n-butyric acid 634.08
    acetyl acetate 513.59
    di(2-ethylhexyl) phthalate 234.94
    ethyl propionate 325.75
    nitromethane 823.16
    1,2-diethoxyethane 597.87
    benzonitrile 520.59
    trioctyl phosphate 175.77
    1-bromopropane 553.85
    gamma-valerolactone 1190.5
    n-decanol 204.64
    triethyl phosphate 186.77
    4-methyl-2-pentanol 313.86
    propionitrile 368.39
    vinylene carbonate 678.18
    1,1,2-trichlorotrifluoroethane 756.99
    DMS 491.77
    cumene 197.85
    2-octanol 212.4
    2-hexanone 359.1
    octyl acetate 312.94
    limonene 263.68
    1,2-dimethoxyethane 598.58
    ethyl orthosilicate 190.34
    tributyl phosphate 221.46
    diacetone alcohol 504.28
    N,N-dimethylaniline 270.83
    acrylonitrile 397.08
    aniline 520.3
    1,3-propanediol 379.2
    bromobenzene 754.42
    dibromomethane 1013.62
    1,1,2,2-tetrachloroethane 1488.32
    2-methyl-cyclohexyl acetate 356.77
    tetrabutyl urea 243.72
    diisobutyl methanol 205.36
    2-phenylethanol 492.56
    styrene 291.7
    dioctyl adipate 305.12
    dimethyl sulfate 331.97
    ethyl butyrate 361.31
    methyl lactate 275.44
    butyl lactate 321.12
    diethyl carbonate 263.66
    propanediol butyl ether 438.6
    triethyl orthoformate 277.07
    p-tert-butyltoluene 185.91
    methyl 4-tert-butylbenzoate 405.35
    morpholine 1212.33
    tert-butylamine 437.82
    n-dodecanol 157.62
    dimethoxymethane 520.66
    ethylene carbonate 594.79
    cyrene 356.81
    2-ethoxyethyl acetate 543.47
    2-ethylhexyl acetate 506.35
    1,2,4-trichlorobenzene 731.1
    4-methylpyridine 884.94
    dibutyl ether 328.18
    2,6-dimethyl-4-heptanol 205.36
    DEF 498.9
    dimethyl isosorbide 702.42
    tetrachloroethylene 912.69
    eugenol 359.49
    triacetin 485.55
    span 80 429.37
    1,4-butanediol 148.42
    1,1-dichloroethane 1082.5
    2-methyl-1-pentanol 327.18
    methyl formate 330.53
    2-methyl-1-butanol 425.54
    n-decane 55.81
    butyronitrile 472.21
    3,7-dimethyl-1-octanol 328.03
    1-chlorooctane 227.72
    1-chlorotetradecane 96.2
    n-nonane 52.66
    undecane 40.99
    tert-butylcyclohexane 90.18
    cyclooctane 76.93
    cyclopentanol 576.16
    tetrahydropyran 1174.81
    tert-amyl methyl ether 412.26
    2,5,8-trioxanonane 573.17
    1-hexene 226.64
    2-isopropoxyethanol 315.58
    2,2,2-trifluoroethanol 317.16
    methyl butyrate 402.62

    Scent© AI

1 of 4
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
Name CAS Botanical Proportion
Tanacetum parthenium (The Netherlands) Tanacetum parthenium (L.) Schultz-Bip. (Feverfew), Asteraceae (Compositae) 0.01%