Cedronin

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  • Identifiers

    CAS number
    111567-19-2

    Molecular formula
    C19H24O7

    SMILES
    CC1=CC(=O)C(C2(C1CC(C34C2C(C5C(C3C(=O)O5)(OC4)C)O)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 50.97%
    Sweet 34.33%
    Spicy 30.4%
    Woody 28.43%
    Mint 21.42%
    Caramellic 21.28%
    Burnt 21.17%
    Cooling 19.87%
    Nutty 17.31%
    Vanilla 16.91%

     

    Flavor
    Bitter 86.6%
    Sweet-like 22.13%
    Cedarleaf 21.93%
    Fatty 21.64%
    Bland 19.68%
    Fenugreek 19.59%
    Leaves 19.47%
    Ripe apricot 19.46%
    Lovage 19.37%
    Seedy 19.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.0

    pKa est.
    5.21 (weak acid)

    Molecular weight
    364.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    849°C

    Flash point

    • 226.92 ˚C est.

  • Synonyms

    • Cedronin
    • 111567-19-2
    • Cedronine
    • 9,12,18-trihydroxy-4,11,15-trimethyl-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,13-dione
    • 7-epi-Cedronin
    • CEDRONINE STEREOISOMER
    • DTXSID30912223
    • NSC267707
    • NSC283437
    • NSC-267707
    • NSC-283437
    • (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-1,7,7a,11,11a,11b-Hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-2H-5a,2,5-(methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione
    • 111614-53-0
    • 1,6,11-Trihydroxy-8,11a,14-trimethyl-1,7,7a,11,11a,11b-hexahydro-2H-2,5,5a-(methanetriyloxymethano)naphtho[1,2-d]oxepine-4,10(5H,6H)-dione
    • 2H-5a,2,5-(Methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione, 1,7,7a,11,11a,11b-hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-, (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-
    • 111567-19-2

  • Applications

    Cedronin (CAS 111567-19-2) is primarily used as an organic synthesis intermediate and as an aroma/fragrance ingredient. In perfumery and personal care, it may serve as a fragrance component or odor profile modifier. In household cleaners and air fresheners, it can be employed to impart or adjust scent. In industrial manufacturing, it can function as a building block for further organic synthesis and may be used in coatings or inks as a specialty additive tied to odor attributes. In polymers and plastics processing, it may act as a reactive intermediate or formulation additive. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.89
    methanol 32.76
    isopropanol 2.54
    water 0.96
    ethyl acetate 6.12
    n-propanol 3.11
    acetone 19.19
    n-butanol 2.47
    acetonitrile 11.11
    DMF 73.71
    toluene 1.9
    isobutanol 1.52
    1,4-dioxane 24.56
    methyl acetate 7.12
    THF 49.69
    2-butanone 7.34
    n-pentanol 1.59
    sec-butanol 0.78
    n-hexane 0.06
    ethylene glycol 10.16
    NMP 46.87
    cyclohexane 0.18
    DMSO 116.92
    n-butyl acetate 5.16
    n-octanol 1.6
    chloroform 9.67
    n-propyl acetate 4.05
    acetic acid 21.69
    dichloromethane 10.23
    cyclohexanone 20.84
    propylene glycol 2.26
    isopropyl acetate 4.65
    DMAc 38.33
    2-ethoxyethanol 14.26
    isopentanol 2.0
    n-heptane 0.1
    ethyl formate 9.47
    1,2-dichloroethane 7.35
    n-hexanol 2.8
    2-methoxyethanol 45.82
    isobutyl acetate 2.49
    tetrachloromethane 1.91
    n-pentyl acetate 4.82
    transcutol 10.88
    n-heptanol 2.77
    ethylbenzene 0.94
    MIBK 5.59
    2-propoxyethanol 25.87
    tert-butanol 2.38
    MTBE 0.64
    2-butoxyethanol 12.14
    propionic acid 4.71
    o-xylene 1.31
    formic acid 51.41
    diethyl ether 2.34
    m-xylene 1.7
    p-xylene 1.42
    chlorobenzene 2.85
    dimethyl carbonate 13.37
    n-octane 0.07
    formamide 63.84
    cyclopentanone 38.86
    2-pentanone 7.77
    anisole 2.75
    cyclopentyl methyl ether 6.6
    gamma-butyrolactone 43.54
    1-methoxy-2-propanol 20.49
    pyridine 13.79
    3-pentanone 5.12
    furfural 38.86
    n-dodecane 0.06
    diethylene glycol 39.63
    diisopropyl ether 0.56
    tert-amyl alcohol 0.77
    acetylacetone 20.52
    n-hexadecane 0.07
    acetophenone 6.27
    methyl propionate 7.81
    isopentyl acetate 4.47
    trichloroethylene 15.47
    n-nonanol 1.83
    cyclohexanol 2.02
    benzyl alcohol 4.63
    2-ethylhexanol 1.49
    isooctanol 2.06
    dipropyl ether 1.84
    1,2-dichlorobenzene 3.42
    ethyl lactate 4.97
    propylene carbonate 15.27
    n-methylformamide 44.6
    2-pentanol 0.86
    n-pentane 0.07
    1-propoxy-2-propanol 10.02
    1-methoxy-2-propyl acetate 11.02
    2-(2-methoxypropoxy) propanol 7.31
    mesitylene 1.03
    ε-caprolactone 13.63
    p-cymene 1.06
    epichlorohydrin 38.28
    1,1,1-trichloroethane 3.72
    2-aminoethanol 7.92
    morpholine-4-carbaldehyde 60.22
    sulfolane 64.84
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 6.95
    n-hexyl acetate 4.46
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 9.19
    sec-butyl acetate 2.13
    tert-butyl acetate 4.57
    decalin 0.12
    glycerin 14.63
    diglyme 21.28
    acrylic acid 9.23
    isopropyl myristate 1.73
    n-butyric acid 7.15
    acetyl acetate 8.75
    di(2-ethylhexyl) phthalate 3.36
    ethyl propionate 4.02
    nitromethane 66.94
    1,2-diethoxyethane 3.85
    benzonitrile 7.11
    trioctyl phosphate 2.75
    1-bromopropane 1.49
    gamma-valerolactone 66.79
    n-decanol 1.2
    triethyl phosphate 3.12
    4-methyl-2-pentanol 1.06
    propionitrile 5.8
    vinylene carbonate 18.8
    1,1,2-trichlorotrifluoroethane 32.4
    DMS 6.53
    cumene 0.73
    2-octanol 1.12
    2-hexanone 4.4
    octyl acetate 2.55
    limonene 1.14
    1,2-dimethoxyethane 24.81
    ethyl orthosilicate 2.51
    tributyl phosphate 2.49
    diacetone alcohol 10.04
    N,N-dimethylaniline 2.45
    acrylonitrile 12.62
    aniline 3.28
    1,3-propanediol 12.4
    bromobenzene 2.47
    dibromomethane 4.77
    1,1,2,2-tetrachloroethane 9.54
    2-methyl-cyclohexyl acetate 4.27
    tetrabutyl urea 4.47
    diisobutyl methanol 1.08
    2-phenylethanol 6.99
    styrene 0.97
    dioctyl adipate 3.2
    dimethyl sulfate 27.99
    ethyl butyrate 3.87
    methyl lactate 13.18
    butyl lactate 5.21
    diethyl carbonate 3.12
    propanediol butyl ether 6.28
    triethyl orthoformate 3.35
    p-tert-butyltoluene 0.91
    methyl 4-tert-butylbenzoate 7.16
    morpholine 21.05
    tert-butylamine 0.59
    n-dodecanol 0.77
    dimethoxymethane 51.28
    ethylene carbonate 15.73
    cyrene 16.66
    2-ethoxyethyl acetate 8.67
    2-ethylhexyl acetate 3.24
    1,2,4-trichlorobenzene 4.16
    4-methylpyridine 8.86
    dibutyl ether 1.03
    2,6-dimethyl-4-heptanol 1.08
    DEF 11.45
    dimethyl isosorbide 17.09
    tetrachloroethylene 9.21
    eugenol 8.95
    triacetin 6.35
    span 80 5.9
    1,4-butanediol 4.19
    1,1-dichloroethane 3.14
    2-methyl-1-pentanol 1.17
    methyl formate 44.65
    2-methyl-1-butanol 1.17
    n-decane 0.12
    butyronitrile 4.63
    3,7-dimethyl-1-octanol 1.32
    1-chlorooctane 0.62
    1-chlorotetradecane 0.25
    n-nonane 0.09
    undecane 0.08
    tert-butylcyclohexane 0.08
    cyclooctane 0.09
    cyclopentanol 3.77
    tetrahydropyran 6.52
    tert-amyl methyl ether 0.64
    2,5,8-trioxanonane 15.24
    1-hexene 0.28
    2-isopropoxyethanol 6.74
    2,2,2-trifluoroethanol 18.1
    methyl butyrate 5.71

    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