3,6-Dihydrochamazulene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    529-05-51

    Molecular formula
    C14H18

    SMILES
    CCC1=CC2=C(CC=C2C)C(=CC1)C

    Retention indicies (RI)

    • DB5: 1514.0

  • Odor profile

    Woody 58.1%
    Fruity 54.11%
    Spicy 47.97%
    Floral 38.11%
    Sweet 35.71%
    Tropical 29.3%
    Fresh 27.36%
    Herbal 27.34%
    Balsamic 27.14%
    Berry 26.81%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    287°C

    Flash point est.
    92.86 ˚C

  • Synonyms

    • 5-Ethyl-3,8-dimethyl-1,6-dihydroazulene
    • 3,6-Dihydrochamazulene
    • Azulene, 7-ethyl-3,6-dihydro-1,4-dimethyl-
    • DTXSID70775218
    • 18454-88-1
    • DTXCID80725961

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.08
    methanol 17.5
    isopropanol 52.2
    water 0.03
    ethyl acetate 163.0
    n-propanol 58.1
    acetone 177.92
    n-butanol 68.79
    acetonitrile 70.63
    DMF 286.96
    toluene 355.3
    isobutanol 62.66
    1,4-dioxane 366.14
    methyl acetate 172.11
    THF 506.99
    2-butanone 256.19
    n-pentanol 65.05
    sec-butanol 73.26
    n-hexane 69.98
    ethylene glycol 7.61
    NMP 329.38
    cyclohexane 114.55
    DMSO 129.25
    n-butyl acetate 283.84
    n-octanol 112.87
    chloroform 544.86
    n-propyl acetate 165.97
    acetic acid 32.68
    dichloromethane 529.9
    cyclohexanone 409.8
    propylene glycol 15.55
    isopropyl acetate 139.47
    DMAc 302.34
    2-ethoxyethanol 71.29
    isopentanol 77.05
    n-heptane 110.38
    ethyl formate 85.92
    1,2-dichloroethane 330.61
    n-hexanol 144.61
    2-methoxyethanol 75.95
    isobutyl acetate 155.08
    tetrachloromethane 133.89
    n-pentyl acetate 191.34
    transcutol 227.48
    n-heptanol 101.32
    ethylbenzene 252.31
    MIBK 153.79
    2-propoxyethanol 143.6
    tert-butanol 82.96
    MTBE 176.22
    2-butoxyethanol 111.65
    propionic acid 52.08
    o-xylene 234.76
    formic acid 3.98
    diethyl ether 168.12
    m-xylene 250.19
    p-xylene 311.88
    chlorobenzene 295.78
    dimethyl carbonate 88.89
    n-octane 62.19
    formamide 11.99
    cyclopentanone 463.15
    2-pentanone 190.98
    anisole 286.89
    cyclopentyl methyl ether 273.61
    gamma-butyrolactone 323.7
    1-methoxy-2-propanol 81.72
    pyridine 419.47
    3-pentanone 213.59
    furfural 257.31
    n-dodecane 48.03
    diethylene glycol 62.53
    diisopropyl ether 94.67
    tert-amyl alcohol 93.37
    acetylacetone 218.45
    n-hexadecane 56.64
    acetophenone 259.1
    methyl propionate 153.55
    isopentyl acetate 278.53
    trichloroethylene 590.87
    n-nonanol 110.45
    cyclohexanol 112.93
    benzyl alcohol 136.22
    2-ethylhexanol 157.11
    isooctanol 96.76
    dipropyl ether 241.96
    1,2-dichlorobenzene 278.09
    ethyl lactate 68.87
    propylene carbonate 203.93
    n-methylformamide 61.49
    2-pentanol 63.84
    n-pentane 49.64
    1-propoxy-2-propanol 137.44
    1-methoxy-2-propyl acetate 223.7
    2-(2-methoxypropoxy) propanol 160.4
    mesitylene 180.47
    ε-caprolactone 294.27
    p-cymene 199.67
    epichlorohydrin 370.88
    1,1,1-trichloroethane 382.42
    2-aminoethanol 16.88
    morpholine-4-carbaldehyde 297.78
    sulfolane 328.67
    2,2,4-trimethylpentane 38.72
    2-methyltetrahydrofuran 374.31
    n-hexyl acetate 255.29
    isooctane 34.4
    2-(2-butoxyethoxy)ethanol 161.58
    sec-butyl acetate 145.61
    tert-butyl acetate 170.89
    decalin 90.83
    glycerin 19.48
    diglyme 295.17
    acrylic acid 41.82
    isopropyl myristate 164.3
    n-butyric acid 81.65
    acetyl acetate 127.19
    di(2-ethylhexyl) phthalate 127.54
    ethyl propionate 164.13
    nitromethane 80.11
    1,2-diethoxyethane 243.77
    benzonitrile 211.39
    trioctyl phosphate 95.69
    1-bromopropane 278.38
    gamma-valerolactone 374.55
    n-decanol 94.86
    triethyl phosphate 134.32
    4-methyl-2-pentanol 60.9
    propionitrile 111.13
    vinylene carbonate 188.1
    1,1,2-trichlorotrifluoroethane 147.6
    DMS 216.67
    cumene 178.98
    2-octanol 94.77
    2-hexanone 188.55
    octyl acetate 177.87
    limonene 250.27
    1,2-dimethoxyethane 243.07
    ethyl orthosilicate 130.19
    tributyl phosphate 109.48
    diacetone alcohol 130.41
    N,N-dimethylaniline 228.15
    acrylonitrile 109.75
    aniline 161.92
    1,3-propanediol 30.12
    bromobenzene 403.98
    dibromomethane 381.41
    1,1,2,2-tetrachloroethane 433.81
    2-methyl-cyclohexyl acetate 228.39
    tetrabutyl urea 159.15
    diisobutyl methanol 110.34
    2-phenylethanol 191.42
    styrene 266.79
    dioctyl adipate 191.81
    dimethyl sulfate 127.37
    ethyl butyrate 222.81
    methyl lactate 52.55
    butyl lactate 102.71
    diethyl carbonate 160.74
    propanediol butyl ether 78.34
    triethyl orthoformate 162.82
    p-tert-butyltoluene 186.12
    methyl 4-tert-butylbenzoate 231.41
    morpholine 304.27
    tert-butylamine 71.24
    n-dodecanol 84.61
    dimethoxymethane 190.18
    ethylene carbonate 152.4
    cyrene 158.84
    2-ethoxyethyl acetate 206.25
    2-ethylhexyl acetate 265.73
    1,2,4-trichlorobenzene 319.42
    4-methylpyridine 395.36
    dibutyl ether 215.07
    2,6-dimethyl-4-heptanol 110.34
    DEF 217.77
    dimethyl isosorbide 318.14
    tetrachloroethylene 271.11
    eugenol 176.38
    triacetin 200.1
    span 80 137.42
    1,4-butanediol 21.03
    1,1-dichloroethane 312.14
    2-methyl-1-pentanol 82.31
    methyl formate 60.04
    2-methyl-1-butanol 78.68
    n-decane 73.36
    butyronitrile 119.65
    3,7-dimethyl-1-octanol 120.49
    1-chlorooctane 163.7
    1-chlorotetradecane 90.61
    n-nonane 73.7
    undecane 58.65
    tert-butylcyclohexane 83.06
    cyclooctane 65.42
    cyclopentanol 116.66
    tetrahydropyran 383.61
    tert-amyl methyl ether 158.92
    2,5,8-trioxanonane 243.72
    1-hexene 150.83
    2-isopropoxyethanol 80.79
    2,2,2-trifluoroethanol 16.53
    methyl butyrate 195.18

    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
Tansy, moroccan (Morocco) 1 Tanacetum annuum L., fam. Asteraceae (Compositae) 3.7%
Tansy, moroccan (Morocco) 2 Tanacetum annuum L., fam. Asteraceae (Compositae) 1.9%