3-Heptadecadienyl pyrocatechol

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  • Identifiers

    CAS number
    76607-95-9

    Molecular formula
    C23H36O2

    SMILES
    CCCCCCCCCCCCCC=CC=CC1=C(C(=CC=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 36.55%
    Waxy 35.16%
    Fatty 30.93%
    Odorless 29.66%
    Oily 27.56%
    Balsamic 26.27%
    Meaty 23.05%
    Burnt 22.71%
    Savory 21.54%
    Woody 21.13%

     

    Flavor
    Herbal 26.79%
    Woody 24.22%
    Diterpene 21.39%
    Low 21.12%
    Balsam 20.93%
    Oriental 20.77%
    Terpentine 20.5%
    Delicate 20.44%
    Faint 20.05%
    Slightly waxy 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    9.79 (weak base)

    Molecular weight
    344.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    460°C

    Flash point

    • 221.97 ˚C est.

  • Synonyms

    • Laccol
    • 3-Heptadecadienyl pyrocatechol
    • 3-Heptadecadienyl-1,2-catechol
    • 76607-95-9
    • RefChem:94002
    • 3-n-heptadecadienylcatechol
    • DTXSID50997936
    • 1,2-Benzenediol, 3-(heptadecadienyl)-
    • 3-(Heptadeca-1,3-dien-1-yl)benzene-1,2-diol
    • 76607-95-9

  • Applications

    3-Heptadecadienyl pyrocatechol (CAS 76607-95-9) is a hydrophobic phenolic compound that can function as an intermediate or specialty additive across several industries. In perfumery and cosmetics, it may be used as an odorant or aroma ingredient, providing distinctive notes when formulated at low concentrations. In polymers and coatings, it may act as an antioxidant or stabilizer for sensitive formulations, helping to limit oxidative degradation. In industrial manufacturing, it can serve as an intermediate for the synthesis of more complex phenolic derivatives. Depending on regulatory constraints, it may also be evaluated for use in adhesives or cleaning formulations as a processing aid or specialty additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 789.1
    methanol 563.11
    isopropanol 627.28
    water 0.09
    ethyl acetate 1385.7
    n-propanol 733.87
    acetone 1880.72
    n-butanol 591.66
    acetonitrile 331.26
    DMF 1150.23
    toluene 272.98
    isobutanol 468.2
    1,4-dioxane 968.28
    methyl acetate 876.56
    THF 2919.44
    2-butanone 1437.5
    n-pentanol 287.26
    sec-butanol 590.88
    n-hexane 64.34
    ethylene glycol 14.7
    NMP 853.37
    cyclohexane 249.06
    DMSO 1755.32
    n-butyl acetate 759.83
    n-octanol 154.79
    chloroform 1031.22
    n-propyl acetate 814.52
    acetic acid 352.3
    dichloromethane 1344.16
    cyclohexanone 1650.89
    propylene glycol 57.9
    isopropyl acetate 917.57
    DMAc 1316.29
    2-ethoxyethanol 492.92
    isopentanol 475.55
    n-heptane 58.05
    ethyl formate 397.76
    1,2-dichloroethane 1428.56
    n-hexanol 234.33
    2-methoxyethanol 733.09
    isobutyl acetate 489.53
    tetrachloromethane 307.56
    n-pentyl acetate 768.28
    transcutol 1615.09
    n-heptanol 184.65
    ethylbenzene 131.47
    MIBK 692.43
    2-propoxyethanol 455.07
    tert-butanol 755.49
    MTBE 1400.32
    2-butoxyethanol 411.52
    propionic acid 384.05
    o-xylene 174.55
    formic acid 52.0
    diethyl ether 1412.21
    m-xylene 166.9
    p-xylene 172.7
    chlorobenzene 365.16
    dimethyl carbonate 266.46
    n-octane 30.86
    formamide 180.96
    cyclopentanone 1773.47
    2-pentanone 1360.56
    anisole 332.99
    cyclopentyl methyl ether 1091.79
    gamma-butyrolactone 1399.12
    1-methoxy-2-propanol 634.94
    pyridine 823.99
    3-pentanone 903.44
    furfural 590.34
    n-dodecane 16.16
    diethylene glycol 146.66
    diisopropyl ether 344.96
    tert-amyl alcohol 628.17
    acetylacetone 1162.9
    n-hexadecane 19.21
    acetophenone 349.29
    methyl propionate 892.78
    isopentyl acetate 681.89
    trichloroethylene 1674.18
    n-nonanol 150.24
    cyclohexanol 509.37
    benzyl alcohol 196.99
    2-ethylhexanol 182.39
    isooctanol 195.47
    dipropyl ether 551.13
    1,2-dichlorobenzene 334.83
    ethyl lactate 207.07
    propylene carbonate 658.78
    n-methylformamide 429.13
    2-pentanol 441.03
    n-pentane 78.51
    1-propoxy-2-propanol 455.72
    1-methoxy-2-propyl acetate 651.21
    2-(2-methoxypropoxy) propanol 249.14
    mesitylene 115.64
    ε-caprolactone 1243.92
    p-cymene 93.18
    epichlorohydrin 1706.26
    1,1,1-trichloroethane 1213.79
    2-aminoethanol 92.58
    morpholine-4-carbaldehyde 715.43
    sulfolane 1648.62
    2,2,4-trimethylpentane 52.45
    2-methyltetrahydrofuran 1755.46
    n-hexyl acetate 609.18
    isooctane 35.35
    2-(2-butoxyethoxy)ethanol 427.93
    sec-butyl acetate 581.27
    tert-butyl acetate 989.49
    decalin 58.31
    glycerin 64.53
    diglyme 1032.99
    acrylic acid 193.53
    isopropyl myristate 173.84
    n-butyric acid 852.91
    acetyl acetate 533.5
    di(2-ethylhexyl) phthalate 108.08
    ethyl propionate 637.68
    nitromethane 926.08
    1,2-diethoxyethane 987.43
    benzonitrile 248.64
    trioctyl phosphate 100.7
    1-bromopropane 898.65
    gamma-valerolactone 1664.73
    n-decanol 98.64
    triethyl phosphate 197.31
    4-methyl-2-pentanol 215.64
    propionitrile 386.72
    vinylene carbonate 443.65
    1,1,2-trichlorotrifluoroethane 665.47
    DMS 349.66
    cumene 90.63
    2-octanol 159.4
    2-hexanone 634.11
    octyl acetate 216.63
    limonene 179.33
    1,2-dimethoxyethane 984.55
    ethyl orthosilicate 217.63
    tributyl phosphate 137.13
    diacetone alcohol 725.85
    N,N-dimethylaniline 194.19
    acrylonitrile 302.87
    aniline 289.29
    1,3-propanediol 260.58
    bromobenzene 393.8
    dibromomethane 852.32
    1,1,2,2-tetrachloroethane 1466.57
    2-methyl-cyclohexyl acetate 345.76
    tetrabutyl urea 190.43
    diisobutyl methanol 144.74
    2-phenylethanol 192.43
    styrene 177.45
    dioctyl adipate 239.04
    dimethyl sulfate 434.04
    ethyl butyrate 616.27
    methyl lactate 217.49
    butyl lactate 370.85
    diethyl carbonate 309.45
    propanediol butyl ether 243.97
    triethyl orthoformate 366.84
    p-tert-butyltoluene 96.24
    methyl 4-tert-butylbenzoate 315.85
    morpholine 1501.01
    tert-butylamine 459.53
    n-dodecanol 71.28
    dimethoxymethane 1067.32
    ethylene carbonate 504.36
    cyrene 240.08
    2-ethoxyethyl acetate 824.42
    2-ethylhexyl acetate 484.41
    1,2,4-trichlorobenzene 395.83
    4-methylpyridine 678.99
    dibutyl ether 421.35
    2,6-dimethyl-4-heptanol 144.74
    DEF 1095.88
    dimethyl isosorbide 530.9
    tetrachloroethylene 893.92
    eugenol 237.02
    triacetin 430.53
    span 80 224.48
    1,4-butanediol 72.07
    1,1-dichloroethane 1205.24
    2-methyl-1-pentanol 270.87
    methyl formate 271.61
    2-methyl-1-butanol 454.73
    n-decane 35.17
    butyronitrile 493.03
    3,7-dimethyl-1-octanol 182.05
    1-chlorooctane 159.04
    1-chlorotetradecane 46.97
    n-nonane 34.65
    undecane 21.93
    tert-butylcyclohexane 51.04
    cyclooctane 56.13
    cyclopentanol 499.88
    tetrahydropyran 1985.72
    tert-amyl methyl ether 749.17
    2,5,8-trioxanonane 482.26
    1-hexene 204.45
    2-isopropoxyethanol 393.05
    2,2,2-trifluoroethanol 127.21
    methyl butyrate 851.08

    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