Hericene C

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  • Identifiers

    CAS number
    157207-56-2

    Molecular formula
    C37H60O5

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(C(=C1C=O)O)C/C=C(\C)/CCC=C(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 56.35%
    Waxy 54.22%
    Balsamic 38.93%
    Oily 34.6%
    Sweet 33.83%
    Fatty 31.72%
    Odorless 31.22%
    Rose 28.51%
    Fresh 27.49%
    Woody 27.18%

     

    Flavor
    Herbal 32.65%
    Bland 28.55%
    Mild 28.27%
    Woody 25.39%
    Balsam 24.47%
    Faint 23.73%
    Warm 22.83%
    Waxy 22.82%
    Oily 22.76%
    Diterpene 20.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.4

    pKa est.
    4.34 (weak acid)

    Molecular weight
    584.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    794°C

    Flash point

    • 202.17 ˚C est.

  • Synonyms

    • Hericene C
    • RefChem:1086464
    • (4-((2E)-3,7-dimethylocta-2,6-dienyl)-2-formyl-3-hydroxy-5-methoxyphenyl)methyl octadecanoate
    • 157207-56-2
    • orb2893448
    • SCHEMBL28933708
    • SCHEMBL29934631
    • EX-A9087H
    • CHEBI:192329
    • DTXSID601116515
    • [4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2-formyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
    • [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ormyl-3-hydroxy-5-methoxyphenyl]methyl octadecanoate
    • {4-[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]-2-FORMYL-3-HYDROXY-5-METHOXYPHENYL}METHYL OCTADECANOATE
    • Steric acid ester of 4(3',7'-dimethyl-2',6'-octadienyl)-2-formyl-3-hydroxyl-5-methoxylbenzyl alcohol
    • 157207-56-2

  • Applications

    Hericene C (CAS 157207-56-2) is typically encountered as a sesquiterpenoid fragrance ingredient that is used primarily as an odorant in perfumery; it is commonly evaluated as an intermediate in the synthesis of fragrance compounds in industrial manufacturing. In cosmetics and personal care, it can function as a fragrance component within formulations such as perfumes, lotions, and cleansers. In household products, it may be added to impart or reinforce a desired scent in cleaners and air fresheners. In coatings and inks, it can be used as an odorant additive to influence aroma profiles. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.07
    methanol 15.28
    isopropanol 19.45
    water 0.06
    ethyl acetate 163.99
    n-propanol 30.41
    acetone 131.73
    n-butanol 28.07
    acetonitrile 33.66
    DMF 157.85
    toluene 69.85
    isobutanol 23.9
    1,4-dioxane 117.71
    methyl acetate 130.87
    THF 347.15
    2-butanone 165.93
    n-pentanol 28.92
    sec-butanol 36.48
    n-hexane 6.99
    ethylene glycol 1.7
    NMP 459.93
    cyclohexane 14.29
    DMSO 179.69
    n-butyl acetate 72.41
    n-octanol 16.41
    chloroform 520.0
    n-propyl acetate 103.89
    acetic acid 115.02
    dichloromethane 496.39
    cyclohexanone 309.33
    propylene glycol 5.87
    isopropyl acetate 103.82
    DMAc 487.63
    2-ethoxyethanol 57.33
    isopentanol 26.92
    n-heptane 3.72
    ethyl formate 63.68
    1,2-dichloroethane 277.46
    n-hexanol 19.2
    2-methoxyethanol 48.88
    isobutyl acetate 58.2
    tetrachloromethane 95.52
    n-pentyl acetate 96.94
    transcutol 168.64
    n-heptanol 18.94
    ethylbenzene 37.47
    MIBK 72.81
    2-propoxyethanol 54.67
    tert-butanol 29.65
    MTBE 64.81
    2-butoxyethanol 58.75
    propionic acid 76.12
    o-xylene 51.73
    formic acid 17.64
    diethyl ether 62.5
    m-xylene 37.59
    p-xylene 49.93
    chlorobenzene 129.5
    dimethyl carbonate 85.93
    n-octane 2.12
    formamide 34.46
    cyclopentanone 366.78
    2-pentanone 138.91
    anisole 75.96
    cyclopentyl methyl ether 146.42
    gamma-butyrolactone 397.77
    1-methoxy-2-propanol 58.44
    pyridine 174.13
    3-pentanone 145.29
    furfural 206.69
    n-dodecane 1.26
    diethylene glycol 17.37
    diisopropyl ether 20.31
    tert-amyl alcohol 46.67
    acetylacetone 193.21
    n-hexadecane 1.51
    acetophenone 107.48
    methyl propionate 153.34
    isopentyl acetate 69.03
    trichloroethylene 624.15
    n-nonanol 18.86
    cyclohexanol 55.85
    benzyl alcohol 50.23
    2-ethylhexanol 18.08
    isooctanol 19.32
    dipropyl ether 37.14
    1,2-dichlorobenzene 147.47
    ethyl lactate 45.38
    propylene carbonate 205.6
    n-methylformamide 60.82
    2-pentanol 26.46
    n-pentane 5.2
    1-propoxy-2-propanol 49.95
    1-methoxy-2-propyl acetate 97.76
    2-(2-methoxypropoxy) propanol 58.72
    mesitylene 21.03
    ε-caprolactone 285.7
    p-cymene 17.21
    epichlorohydrin 409.69
    1,1,1-trichloroethane 349.74
    2-aminoethanol 7.85
    morpholine-4-carbaldehyde 215.1
    sulfolane 508.98
    2,2,4-trimethylpentane 5.38
    2-methyltetrahydrofuran 219.36
    n-hexyl acetate 85.26
    isooctane 2.09
    2-(2-butoxyethoxy)ethanol 66.6
    sec-butyl acetate 80.71
    tert-butyl acetate 109.69
    decalin 8.49
    glycerin 9.56
    diglyme 158.62
    acrylic acid 66.24
    isopropyl myristate 25.05
    n-butyric acid 123.31
    acetyl acetate 126.91
    di(2-ethylhexyl) phthalate 31.64
    ethyl propionate 110.35
    nitromethane 218.7
    1,2-diethoxyethane 75.63
    benzonitrile 54.58
    trioctyl phosphate 20.89
    1-bromopropane 132.71
    gamma-valerolactone 385.55
    n-decanol 11.5
    triethyl phosphate 49.64
    4-methyl-2-pentanol 16.05
    propionitrile 41.89
    vinylene carbonate 171.71
    1,1,2-trichlorotrifluoroethane 251.71
    DMS 88.46
    cumene 22.84
    2-octanol 15.65
    2-hexanone 96.96
    octyl acetate 36.46
    limonene 28.37
    1,2-dimethoxyethane 116.12
    ethyl orthosilicate 45.92
    tributyl phosphate 29.36
    diacetone alcohol 89.0
    N,N-dimethylaniline 54.2
    acrylonitrile 51.16
    aniline 70.16
    1,3-propanediol 15.55
    bromobenzene 151.69
    dibromomethane 277.74
    1,1,2,2-tetrachloroethane 544.18
    2-methyl-cyclohexyl acetate 66.28
    tetrabutyl urea 41.98
    diisobutyl methanol 12.24
    2-phenylethanol 36.14
    styrene 45.22
    dioctyl adipate 50.3
    dimethyl sulfate 184.14
    ethyl butyrate 74.97
    methyl lactate 56.87
    butyl lactate 66.24
    diethyl carbonate 51.48
    propanediol butyl ether 33.74
    triethyl orthoformate 59.7
    p-tert-butyltoluene 16.4
    methyl 4-tert-butylbenzoate 94.09
    morpholine 152.01
    tert-butylamine 17.14
    n-dodecanol 7.6
    dimethoxymethane 115.85
    ethylene carbonate 149.33
    cyrene 87.79
    2-ethoxyethyl acetate 142.8
    2-ethylhexyl acetate 59.61
    1,2,4-trichlorobenzene 197.23
    4-methylpyridine 157.56
    dibutyl ether 31.06
    2,6-dimethyl-4-heptanol 12.24
    DEF 175.38
    dimethyl isosorbide 135.49
    tetrachloroethylene 295.13
    eugenol 68.43
    triacetin 125.89
    span 80 52.13
    1,4-butanediol 8.62
    1,1-dichloroethane 253.06
    2-methyl-1-pentanol 33.79
    methyl formate 54.21
    2-methyl-1-butanol 33.23
    n-decane 3.06
    butyronitrile 40.89
    3,7-dimethyl-1-octanol 17.99
    1-chlorooctane 18.84
    1-chlorotetradecane 5.53
    n-nonane 2.61
    undecane 1.81
    tert-butylcyclohexane 6.11
    cyclooctane 4.76
    cyclopentanol 65.4
    tetrahydropyran 167.69
    tert-amyl methyl ether 70.69
    2,5,8-trioxanonane 89.99
    1-hexene 25.82
    2-isopropoxyethanol 50.14
    2,2,2-trifluoroethanol 60.03
    methyl butyrate 137.22

    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