5-Neocedranol

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  • Identifiers

    CAS number
    13567-44-7

    Molecular formula
    C15H26O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.36%
    Balsamic 51.48%
    Spicy 50.15%
    Sweet 49.5%
    Amber 47.85%
    Earthy 46.06%
    Sandalwood 44.86%
    Dry 44.71%
    Camphoreous 44.43%
    Herbal 43.62%

     

    Flavor
    Woody 60.52%
    Sweet 54.45%
    Herbal 53.48%
    Earthy 48.64%
    Pine 47.32%
    Camphor 45.38%
    Balsam 42.4%
    Spicy 38.33%
    Herb 37.42%
    Green 36.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.31 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    314°C

    Flash point

    • 135.82 ˚C est.

  • Synonyms

    • 5-Neocedranol
    • EINECS 236-974-0
    • 13567-44-7
    • RefChem:103246
    • (3R-(3alpha,3Abeta,5beta,6beta,7beta,8aalpha))-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-ol
    • 8alpha-Cedran-9alpha-ol
    • DTXSID701317657
    • 13567-44-7

  • Applications

    5-Neocedranol (CAS 13567-44-7) is mainly used in fragrance chemistry as a cedarwood-type odorant and fixative, contributing to the longevity and character of woody perfume notes. It is commonly evaluated for use as a fragrance ingredient in cosmetics and personal care products, where it imparts or reinforces a woody aroma. It may also appear in household products (such as cleaners and air fresheners) to introduce cedar-like scent profiles. Additionally, it can serve as an intermediate or building block in fragrance synthesis and formulation, supporting the development of woody scent accords.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 179.01
    methanol 192.66
    isopropanol 227.09
    water 4.21
    ethyl acetate 166.3
    n-propanol 186.7
    acetone 252.91
    n-butanol 181.91
    acetonitrile 198.98
    DMF 287.9
    toluene 194.12
    isobutanol 135.13
    1,4-dioxane 447.42
    methyl acetate 154.76
    THF 885.44
    2-butanone 185.32
    n-pentanol 70.05
    sec-butanol 95.07
    n-hexane 10.1
    ethylene glycol 50.29
    NMP 153.87
    cyclohexane 31.97
    DMSO 174.53
    n-butyl acetate 166.26
    n-octanol 79.13
    chloroform 453.46
    n-propyl acetate 85.97
    acetic acid 77.25
    dichloromethane 336.74
    cyclohexanone 297.58
    propylene glycol 53.75
    isopropyl acetate 145.27
    DMAc 137.71
    2-ethoxyethanol 115.76
    isopentanol 136.1
    n-heptane 19.21
    ethyl formate 145.54
    1,2-dichloroethane 212.42
    n-hexanol 162.34
    2-methoxyethanol 271.14
    isobutyl acetate 80.84
    tetrachloromethane 114.84
    n-pentyl acetate 115.04
    transcutol 225.95
    n-heptanol 100.19
    ethylbenzene 76.91
    MIBK 138.08
    2-propoxyethanol 283.62
    tert-butanol 212.76
    MTBE 151.22
    2-butoxyethanol 163.31
    propionic acid 82.97
    o-xylene 106.61
    formic acid 40.44
    diethyl ether 173.99
    m-xylene 145.41
    p-xylene 105.62
    chlorobenzene 168.92
    dimethyl carbonate 86.44
    n-octane 10.67
    formamide 72.83
    cyclopentanone 430.62
    2-pentanone 176.88
    anisole 126.19
    cyclopentyl methyl ether 237.71
    gamma-butyrolactone 393.91
    1-methoxy-2-propanol 244.98
    pyridine 295.83
    3-pentanone 118.62
    furfural 269.57
    n-dodecane 8.78
    diethylene glycol 196.64
    diisopropyl ether 70.9
    tert-amyl alcohol 84.65
    acetylacetone 208.08
    n-hexadecane 10.4
    acetophenone 110.63
    methyl propionate 136.67
    isopentyl acetate 158.17
    trichloroethylene 311.25
    n-nonanol 74.55
    cyclohexanol 129.3
    benzyl alcohol 98.53
    2-ethylhexanol 88.1
    isooctanol 78.5
    dipropyl ether 112.22
    1,2-dichlorobenzene 144.22
    ethyl lactate 60.6
    propylene carbonate 175.98
    n-methylformamide 178.82
    2-pentanol 98.94
    n-pentane 18.11
    1-propoxy-2-propanol 202.36
    1-methoxy-2-propyl acetate 194.88
    2-(2-methoxypropoxy) propanol 107.28
    mesitylene 98.57
    ε-caprolactone 213.78
    p-cymene 75.84
    epichlorohydrin 371.64
    1,1,1-trichloroethane 220.59
    2-aminoethanol 94.17
    morpholine-4-carbaldehyde 245.53
    sulfolane 272.9
    2,2,4-trimethylpentane 10.91
    2-methyltetrahydrofuran 305.57
    n-hexyl acetate 130.0
    isooctane 14.76
    2-(2-butoxyethoxy)ethanol 148.32
    sec-butyl acetate 73.46
    tert-butyl acetate 152.53
    decalin 16.76
    glycerin 85.66
    diglyme 284.41
    acrylic acid 69.93
    isopropyl myristate 60.77
    n-butyric acid 156.18
    acetyl acetate 118.41
    di(2-ethylhexyl) phthalate 60.72
    ethyl propionate 89.76
    nitromethane 191.13
    1,2-diethoxyethane 137.82
    benzonitrile 165.03
    trioctyl phosphate 52.75
    1-bromopropane 138.78
    gamma-valerolactone 440.76
    n-decanol 55.53
    triethyl phosphate 56.69
    4-methyl-2-pentanol 81.56
    propionitrile 208.6
    vinylene carbonate 192.36
    1,1,2-trichlorotrifluoroethane 169.37
    DMS 108.23
    cumene 63.98
    2-octanol 64.02
    2-hexanone 88.61
    octyl acetate 70.6
    limonene 80.09
    1,2-dimethoxyethane 225.74
    ethyl orthosilicate 58.67
    tributyl phosphate 52.87
    diacetone alcohol 146.32
    N,N-dimethylaniline 86.24
    acrylonitrile 223.86
    aniline 151.29
    1,3-propanediol 163.01
    bromobenzene 181.52
    dibromomethane 228.69
    1,1,2,2-tetrachloroethane 244.66
    2-methyl-cyclohexyl acetate 92.89
    tetrabutyl urea 62.56
    diisobutyl methanol 68.48
    2-phenylethanol 150.41
    styrene 78.49
    dioctyl adipate 65.96
    dimethyl sulfate 104.96
    ethyl butyrate 105.39
    methyl lactate 83.27
    butyl lactate 95.08
    diethyl carbonate 70.54
    propanediol butyl ether 109.96
    triethyl orthoformate 87.61
    p-tert-butyltoluene 79.27
    methyl 4-tert-butylbenzoate 126.47
    morpholine 368.18
    tert-butylamine 134.49
    n-dodecanol 41.81
    dimethoxymethane 322.4
    ethylene carbonate 179.78
    cyrene 93.28
    2-ethoxyethyl acetate 153.07
    2-ethylhexyl acetate 119.35
    1,2,4-trichlorobenzene 150.86
    4-methylpyridine 252.34
    dibutyl ether 72.66
    2,6-dimethyl-4-heptanol 68.48
    DEF 125.04
    dimethyl isosorbide 191.96
    tetrachloroethylene 190.25
    eugenol 118.69
    triacetin 105.01
    span 80 98.4
    1,4-butanediol 50.52
    1,1-dichloroethane 219.67
    2-methyl-1-pentanol 56.83
    methyl formate 155.26
    2-methyl-1-butanol 93.87
    n-decane 15.74
    butyronitrile 214.97
    3,7-dimethyl-1-octanol 72.38
    1-chlorooctane 54.95
    1-chlorotetradecane 22.01
    n-nonane 13.38
    undecane 11.45
    tert-butylcyclohexane 17.24
    cyclooctane 15.14
    cyclopentanol 156.92
    tetrahydropyran 345.99
    tert-amyl methyl ether 83.4
    2,5,8-trioxanonane 169.16
    1-hexene 34.5
    2-isopropoxyethanol 90.49
    2,2,2-trifluoroethanol 61.61
    methyl butyrate 102.22

    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