Acetyl cedrene

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  • Identifiers

    CAS number
    32388-55-9

    Molecular formula
    C17H26O

    SMILES
    C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)C(=C(C3)C(=O)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 93.0%
    Amber 66.5%
    Musk 58.26%
    Dry 56.25%
    Cedar 55.64%
    Sandalwood 48.48%
    Vetiver 47.57%
    Powdery 46.66%
    Orris 44.9%
    Sweet 35.5%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    246.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point est.
    134.99 ˚C

  • Synonyms

    • Acetyl cedrene
    • 32388-55-9
    • Acetylcedrene
    • 1-((3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone
    • Lixetone
    • Vertofix
    • Acetyl-alpha-cedrene
    • 1-cedr-8-en-9-ylethanone
    • 9-Acetylcedr-8-ene
    • UNII-X6I62755AK
    • DTXSID4029353
    • Acetyl-.alpha.-cedrene
    • X6I62755AK
    • Acetylcedrene (~80%)
    • EINECS 251-020-3
    • Methyl cedryl ketone
    • DTXCID209353
    • EC 251-020-3
    • Ethanone, 1-((3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-
    • Ethanone, 1-[(3R,3aR,7R,8aS)-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl]-
    • 1-((3R,3aR,7R,8aS)-3,6,8,8-tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethan-1-one
    • Ethanone, 1-(2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)-, (3R-(3alpha,3abeta,7beta,8aalpha))-
    • 1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanone
    • ETHANONE, 1-(2,3,4,7,8,8A-HEXAHYDRO-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULEN-5-YL)-, (3R-(3.ALPHA.,3A.BETA.,7.BETA.,8A.ALPHA.))-
    • CAS-32388-55-9
    • 9-Acetyl-8-cedrene
    • SCHEMBL1629517
    • CHEMBL3184309
    • YBUIAJZFOGJGLJ-SWRJLBSHSA-N
    • Tox21_202194
    • Tox21_303481
    • AKOS016009516
    • HY-W013401
    • NCGC00249184-01
    • NCGC00257473-01
    • NCGC00259743-01
    • G73906
    • Acetyl-alpha-cedrene 1000 microg/mL in Acetonitrile
    • Q27293605
    • (3R-(3alpha,3abeta,7beta,8aalpha))-1-(2,3,4,7,8,8a-Hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-yl)ethan-1-one
    • 251-020-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.52
    methanol 97.05
    isopropanol 112.15
    water 1.42
    ethyl acetate 177.98
    n-propanol 100.3
    acetone 254.16
    n-butanol 107.17
    acetonitrile 211.04
    DMF 404.37
    toluene 443.39
    isobutanol 87.46
    1,4-dioxane 464.17
    methyl acetate 191.14
    THF 870.36
    2-butanone 227.48
    n-pentanol 48.85
    sec-butanol 68.1
    n-hexane 5.61
    ethylene glycol 22.0
    NMP 336.43
    cyclohexane 30.02
    DMSO 112.06
    n-butyl acetate 144.12
    n-octanol 45.77
    chloroform 842.58
    n-propyl acetate 104.73
    acetic acid 82.05
    dichloromethane 611.0
    cyclohexanone 440.79
    propylene glycol 32.45
    isopropyl acetate 151.03
    DMAc 229.36
    2-ethoxyethanol 68.22
    isopentanol 90.74
    n-heptane 8.51
    ethyl formate 124.31
    1,2-dichloroethane 283.87
    n-hexanol 95.52
    2-methoxyethanol 175.74
    isobutyl acetate 97.2
    tetrachloromethane 121.97
    n-pentyl acetate 109.4
    transcutol 192.21
    n-heptanol 59.05
    ethylbenzene 126.76
    MIBK 142.97
    2-propoxyethanol 199.1
    tert-butanol 113.51
    MTBE 99.78
    2-butoxyethanol 109.27
    propionic acid 90.34
    o-xylene 195.68
    formic acid 31.01
    diethyl ether 106.74
    m-xylene 262.35
    p-xylene 189.31
    chlorobenzene 373.75
    dimethyl carbonate 110.96
    n-octane 4.61
    formamide 68.93
    cyclopentanone 618.39
    2-pentanone 180.59
    anisole 211.71
    cyclopentyl methyl ether 261.91
    gamma-butyrolactone 570.57
    1-methoxy-2-propanol 178.03
    pyridine 568.54
    3-pentanone 141.14
    furfural 456.84
    n-dodecane 4.45
    diethylene glycol 124.72
    diisopropyl ether 47.89
    tert-amyl alcohol 65.41
    acetylacetone 262.93
    n-hexadecane 5.53
    acetophenone 193.57
    methyl propionate 159.34
    isopentyl acetate 158.36
    trichloroethylene 636.39
    n-nonanol 48.32
    cyclohexanol 134.86
    benzyl alcohol 160.59
    2-ethylhexanol 63.52
    isooctanol 51.17
    dipropyl ether 64.8
    1,2-dichlorobenzene 311.8
    ethyl lactate 59.31
    propylene carbonate 267.41
    n-methylformamide 165.96
    2-pentanol 68.14
    n-pentane 9.89
    1-propoxy-2-propanol 140.91
    1-methoxy-2-propyl acetate 197.91
    2-(2-methoxypropoxy) propanol 103.86
    mesitylene 134.65
    ε-caprolactone 323.48
    p-cymene 79.52
    epichlorohydrin 508.64
    1,1,1-trichloroethane 359.88
    2-aminoethanol 48.91
    morpholine-4-carbaldehyde 390.54
    sulfolane 341.67
    2,2,4-trimethylpentane 7.97
    2-methyltetrahydrofuran 361.39
    n-hexyl acetate 140.23
    isooctane 7.86
    2-(2-butoxyethoxy)ethanol 120.18
    sec-butyl acetate 90.27
    tert-butyl acetate 151.63
    decalin 16.53
    glycerin 52.01
    diglyme 232.49
    acrylic acid 90.82
    isopropyl myristate 61.74
    n-butyric acid 148.2
    acetyl acetate 166.68
    di(2-ethylhexyl) phthalate 79.77
    ethyl propionate 104.53
    nitromethane 242.06
    1,2-diethoxyethane 103.7
    benzonitrile 295.38
    trioctyl phosphate 50.17
    1-bromopropane 150.63
    gamma-valerolactone 633.17
    n-decanol 35.9
    triethyl phosphate 63.27
    4-methyl-2-pentanol 54.32
    propionitrile 183.97
    vinylene carbonate 312.66
    1,1,2-trichlorotrifluoroethane 217.73
    DMS 174.79
    cumene 77.66
    2-octanol 40.21
    2-hexanone 106.5
    octyl acetate 74.36
    limonene 84.69
    1,2-dimethoxyethane 168.02
    ethyl orthosilicate 61.35
    tributyl phosphate 56.34
    diacetone alcohol 138.45
    N,N-dimethylaniline 125.63
    acrylonitrile 255.5
    aniline 287.25
    1,3-propanediol 91.38
    bromobenzene 439.49
    dibromomethane 340.89
    1,1,2,2-tetrachloroethane 415.79
    2-methyl-cyclohexyl acetate 126.52
    tetrabutyl urea 72.63
    diisobutyl methanol 44.69
    2-phenylethanol 213.36
    styrene 154.1
    dioctyl adipate 87.5
    dimethyl sulfate 141.63
    ethyl butyrate 110.11
    methyl lactate 85.97
    butyl lactate 92.4
    diethyl carbonate 84.33
    propanediol butyl ether 80.4
    triethyl orthoformate 84.92
    p-tert-butyltoluene 79.32
    methyl 4-tert-butylbenzoate 161.32
    morpholine 415.21
    tert-butylamine 72.66
    n-dodecanol 26.68
    dimethoxymethane 280.62
    ethylene carbonate 239.51
    cyrene 139.41
    2-ethoxyethyl acetate 165.93
    2-ethylhexyl acetate 126.93
    1,2,4-trichlorobenzene 343.21
    4-methylpyridine 568.36
    dibutyl ether 46.67
    2,6-dimethyl-4-heptanol 44.69
    DEF 167.05
    dimethyl isosorbide 246.47
    tetrachloroethylene 270.84
    eugenol 149.39
    triacetin 143.15
    span 80 103.73
    1,4-butanediol 28.37
    1,1-dichloroethane 307.89
    2-methyl-1-pentanol 50.34
    methyl formate 148.12
    2-methyl-1-butanol 73.57
    n-decane 7.62
    butyronitrile 173.21
    3,7-dimethyl-1-octanol 53.5
    1-chlorooctane 36.85
    1-chlorotetradecane 16.36
    n-nonane 6.1
    undecane 5.69
    tert-butylcyclohexane 14.02
    cyclooctane 10.3
    cyclopentanol 154.8
    tetrahydropyran 371.19
    tert-amyl methyl ether 68.28
    2,5,8-trioxanonane 155.96
    1-hexene 28.47
    2-isopropoxyethanol 61.57
    2,2,2-trifluoroethanol 61.07
    methyl butyrate 129.65

    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