Cedrin

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  • Identifiers

    CAS number
    75513-81-4

    Molecular formula
    C15H18O6

    SMILES
    CC1C2C(C(C3(C=CC(=O)C(=C3C2OC1=O)OC)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 48.54%
    Odorless 46.84%
    Sweet 43.05%
    Burnt 36.71%
    Roasted 27.65%
    Spicy 22.04%
    Nutty 21.6%
    Vanilla 21.09%
    Savory 19.6%
    Milky 19.09%

     

    Flavor
    Bitter 89.61%
    Sweet-like 21.66%
    Bland 20.71%
    Cedarleaf 20.2%
    Fenugreek 20.06%
    Seedy 19.63%
    Cotton candy 19.45%
    Extremely sweet 19.26%
    Lovage 19.23%
    Leaves 19.04%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.4 (weak acid)

    Molecular weight
    294.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    996°C

    Flash point

    • 218.43 ˚C est.

  • Synonyms

    • RefChem:1081310
    • 75513-81-4
    • Cedrin
    • 6040-62-6
    • Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-4,5-dihydroxy-9-methoxy-3,5a-dimethyl-
    • SCHEMBL21874455
    • DTXSID70975812
    • 4,5-Dihydroxy-9-methoxy-3,5a-dimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
    • 6040-62-6

  • Applications

    Cedrin, CAS 75513-81-4, is primarily employed as an odorant and fragrance ingredient in perfumery, where it can function as a component or fixative in scented formulations. It may also be used in cosmetics and personal care products as a fragrance ingredient. In household cleaning and air-freshening products, it is used to impart or enhance fragrance. In industrial manufacturing, it may be evaluated as a fragrance additive or processing aid in polymers, coatings, and inks. It may also be considered as an intermediate in fragrance synthesis and formulation development, depending on regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.13
    methanol 40.29
    isopropanol 5.7
    water 1.51
    ethyl acetate 15.53
    n-propanol 6.1
    acetone 24.59
    n-butanol 5.5
    acetonitrile 12.06
    DMF 116.1
    toluene 5.31
    isobutanol 3.92
    1,4-dioxane 45.26
    methyl acetate 16.03
    THF 52.84
    2-butanone 16.0
    n-pentanol 4.39
    sec-butanol 3.07
    n-hexane 0.16
    ethylene glycol 15.3
    NMP 87.63
    cyclohexane 0.58
    DMSO 145.37
    n-butyl acetate 10.47
    n-octanol 4.69
    chloroform 21.48
    n-propyl acetate 10.33
    acetic acid 37.86
    dichloromethane 23.6
    cyclohexanone 40.53
    propylene glycol 4.87
    isopropyl acetate 10.54
    DMAc 85.49
    2-ethoxyethanol 32.16
    isopentanol 5.89
    n-heptane 0.22
    ethyl formate 17.24
    1,2-dichloroethane 15.9
    n-hexanol 6.95
    2-methoxyethanol 74.85
    isobutyl acetate 5.91
    tetrachloromethane 3.83
    n-pentyl acetate 11.26
    transcutol 31.11
    n-heptanol 7.16
    ethylbenzene 3.44
    MIBK 10.83
    2-propoxyethanol 42.02
    tert-butanol 7.01
    MTBE 2.46
    2-butoxyethanol 26.39
    propionic acid 14.02
    o-xylene 4.91
    formic acid 78.5
    diethyl ether 5.27
    m-xylene 4.39
    p-xylene 5.12
    chlorobenzene 7.89
    dimethyl carbonate 28.13
    n-octane 0.2
    formamide 108.9
    cyclopentanone 53.8
    2-pentanone 15.22
    anisole 9.05
    cyclopentyl methyl ether 13.31
    gamma-butyrolactone 68.92
    1-methoxy-2-propanol 39.41
    pyridine 30.66
    3-pentanone 11.98
    furfural 66.17
    n-dodecane 0.2
    diethylene glycol 62.29
    diisopropyl ether 1.58
    tert-amyl alcohol 4.03
    acetylacetone 29.53
    n-hexadecane 0.24
    acetophenone 18.57
    methyl propionate 19.42
    isopentyl acetate 9.87
    trichloroethylene 37.7
    n-nonanol 5.27
    cyclohexanol 7.95
    benzyl alcohol 15.83
    2-ethylhexanol 4.41
    isooctanol 5.83
    dipropyl ether 3.67
    1,2-dichlorobenzene 9.92
    ethyl lactate 14.11
    propylene carbonate 31.09
    n-methylformamide 64.42
    2-pentanol 2.88
    n-pentane 0.16
    1-propoxy-2-propanol 20.11
    1-methoxy-2-propyl acetate 21.71
    2-(2-methoxypropoxy) propanol 18.76
    mesitylene 3.02
    ε-caprolactone 34.2
    p-cymene 3.28
    epichlorohydrin 56.36
    1,1,1-trichloroethane 7.89
    2-aminoethanol 13.28
    morpholine-4-carbaldehyde 105.42
    sulfolane 99.8
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 15.44
    n-hexyl acetate 11.83
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 22.4
    sec-butyl acetate 6.35
    tert-butyl acetate 10.67
    decalin 0.46
    glycerin 27.9
    diglyme 47.6
    acrylic acid 22.99
    isopropyl myristate 4.79
    n-butyric acid 18.85
    acetyl acetate 17.1
    di(2-ethylhexyl) phthalate 9.03
    ethyl propionate 10.68
    nitromethane 80.95
    1,2-diethoxyethane 9.73
    benzonitrile 15.63
    trioctyl phosphate 6.98
    1-bromopropane 3.62
    gamma-valerolactone 91.03
    n-decanol 3.63
    triethyl phosphate 8.4
    4-methyl-2-pentanol 3.36
    propionitrile 8.26
    vinylene carbonate 39.0
    1,1,2-trichlorotrifluoroethane 61.77
    DMS 17.92
    cumene 2.67
    2-octanol 3.63
    2-hexanone 10.02
    octyl acetate 6.81
    limonene 3.72
    1,2-dimethoxyethane 47.81
    ethyl orthosilicate 7.18
    tributyl phosphate 6.7
    diacetone alcohol 21.03
    N,N-dimethylaniline 8.67
    acrylonitrile 19.19
    aniline 12.02
    1,3-propanediol 23.11
    bromobenzene 6.64
    dibromomethane 10.52
    1,1,2,2-tetrachloroethane 24.34
    2-methyl-cyclohexyl acetate 10.84
    tetrabutyl urea 10.95
    diisobutyl methanol 3.08
    2-phenylethanol 16.42
    styrene 3.67
    dioctyl adipate 8.89
    dimethyl sulfate 50.38
    ethyl butyrate 8.49
    methyl lactate 28.28
    butyl lactate 12.71
    diethyl carbonate 7.75
    propanediol butyl ether 15.68
    triethyl orthoformate 8.32
    p-tert-butyltoluene 2.95
    methyl 4-tert-butylbenzoate 19.17
    morpholine 41.78
    tert-butylamine 2.12
    n-dodecanol 2.52
    dimethoxymethane 69.88
    ethylene carbonate 32.65
    cyrene 34.81
    2-ethoxyethyl acetate 18.77
    2-ethylhexyl acetate 7.62
    1,2,4-trichlorobenzene 13.56
    4-methylpyridine 23.53
    dibutyl ether 2.95
    2,6-dimethyl-4-heptanol 3.08
    DEF 30.36
    dimethyl isosorbide 35.86
    tetrachloroethylene 23.48
    eugenol 22.12
    triacetin 17.95
    span 80 14.99
    1,4-butanediol 9.32
    1,1-dichloroethane 7.31
    2-methyl-1-pentanol 4.49
    methyl formate 58.89
    2-methyl-1-butanol 4.09
    n-decane 0.36
    butyronitrile 7.06
    3,7-dimethyl-1-octanol 4.01
    1-chlorooctane 1.83
    1-chlorotetradecane 0.8
    n-nonane 0.28
    undecane 0.25
    tert-butylcyclohexane 0.28
    cyclooctane 0.28
    cyclopentanol 9.99
    tetrahydropyran 14.48
    tert-amyl methyl ether 2.87
    2,5,8-trioxanonane 32.2
    1-hexene 0.79
    2-isopropoxyethanol 18.09
    2,2,2-trifluoroethanol 32.33
    methyl butyrate 14.65

    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