5-(12Z)-12-Heptadecen-1-yl-1,3-benzenediol

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  • Identifiers

    CAS number
    103462-06-2

    Molecular formula
    C23H38O2

    SMILES
    CCCC/C=C\CCCCCCCCCCCC1=CC(=CC(=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 58.62%
    Fatty 45.2%
    Oily 35.92%
    Odorless 28.31%
    Balsamic 25.0%
    Spicy 24.67%
    Meaty 22.56%
    Animal 22.01%
    Savory 21.49%
    Burnt 21.24%

     

    Flavor
    Waxy 26.92%
    Mild 25.02%
    Bland 24.49%
    Faint 23.49%
    Slightly waxy 21.67%
    Delicate 20.99%
    Diterpene 20.48%
    Low 20.12%
    Terpentine 19.67%
    Oriental 19.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    9.06 (weak base)

    Molecular weight
    346.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    462°C

    Flash point

    • 213.76 ˚C est.

  • Synonyms

    • 5-(Heptadec-12-enyl)resorcinol
    • 103462-06-2
    • CHEBI:2022
    • 5-[(Z)-heptadec-12-enyl]benzene-1,3-diol
    • 5-[(12Z)-heptadec-12-en-1-yl]benzene-1,3-diol
    • 5-((Z)-heptadec-12-enyl)benzene-1,3-diol
    • 5-((12Z)-heptadec-12-en-1-yl)benzene-1,3-diol
    • RefChem:1072350
    • 5-(12Z)-12-Heptadecen-1-yl-1,3-benzenediol
    • CHEMBL1795548
    • DTXSID50415201
    • LMPK15030026
    • (Z)-5-(heptadec-12-en-1-yl)resorcinol
    • (Z)-5-(heptadec-12-en-1-yl)benzene-1,3-diol
    • Q27105546
    • 103462-06-2

  • Applications

    5-(12Z)-12-Heptadecen-1-yl-1,3-benzenediol; CAS number: 103462-06-2 is a long-chain alkylresorcinol; in practical applications it may be used as a fragrance ingredient and a fixative in perfumery to extend the aroma; it can function as an antioxidant and stabilizer in cosmetics and personal care formulations as well as in household products; it serves as an intermediate or additive in organic synthesis and may be considered for use in polymers and plastics and in coatings and inks as a stabilizing or oil-compatible additive; usage depends on local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1957.17
    methanol 978.9
    isopropanol 1612.88
    water 0.04
    ethyl acetate 1160.23
    n-propanol 1555.48
    acetone 3418.63
    n-butanol 1228.43
    acetonitrile 390.79
    DMF 1686.67
    toluene 271.32
    isobutanol 1009.04
    1,4-dioxane 1606.7
    methyl acetate 748.31
    THF 5502.3
    2-butanone 1687.45
    n-pentanol 602.44
    sec-butanol 1080.75
    n-hexane 105.09
    ethylene glycol 34.09
    NMP 1271.49
    cyclohexane 374.17
    DMSO 3520.11
    n-butyl acetate 823.44
    n-octanol 222.34
    chloroform 1145.37
    n-propyl acetate 854.28
    acetic acid 521.62
    dichloromethane 1310.19
    cyclohexanone 2155.37
    propylene glycol 165.8
    isopropyl acetate 873.47
    DMAc 1425.65
    2-ethoxyethanol 792.82
    isopentanol 939.51
    n-heptane 80.71
    ethyl formate 482.63
    1,2-dichloroethane 1478.71
    n-hexanol 451.21
    2-methoxyethanol 1459.31
    isobutyl acetate 600.53
    tetrachloromethane 310.61
    n-pentyl acetate 683.42
    transcutol 2334.1
    n-heptanol 248.14
    ethylbenzene 141.38
    MIBK 916.51
    2-propoxyethanol 819.37
    tert-butanol 1571.6
    MTBE 1749.35
    2-butoxyethanol 567.76
    propionic acid 487.74
    o-xylene 168.48
    formic acid 70.43
    diethyl ether 1773.12
    m-xylene 180.48
    p-xylene 183.95
    chlorobenzene 371.38
    dimethyl carbonate 244.76
    n-octane 34.57
    formamide 192.45
    cyclopentanone 2632.45
    2-pentanone 1646.4
    anisole 354.59
    cyclopentyl methyl ether 1526.39
    gamma-butyrolactone 1784.12
    1-methoxy-2-propanol 1270.67
    pyridine 905.9
    3-pentanone 867.97
    furfural 737.73
    n-dodecane 19.69
    diethylene glycol 292.24
    diisopropyl ether 389.92
    tert-amyl alcohol 1036.31
    acetylacetone 1327.33
    n-hexadecane 23.75
    acetophenone 346.57
    methyl propionate 793.1
    isopentyl acetate 767.06
    trichloroethylene 1541.9
    n-nonanol 217.9
    cyclohexanol 921.98
    benzyl alcohol 255.2
    2-ethylhexanol 288.27
    isooctanol 262.77
    dipropyl ether 780.17
    1,2-dichlorobenzene 314.41
    ethyl lactate 253.16
    propylene carbonate 753.56
    n-methylformamide 586.08
    2-pentanol 722.16
    n-pentane 113.27
    1-propoxy-2-propanol 733.79
    1-methoxy-2-propyl acetate 739.07
    2-(2-methoxypropoxy) propanol 382.38
    mesitylene 134.01
    ε-caprolactone 1367.67
    p-cymene 105.36
    epichlorohydrin 2169.74
    1,1,1-trichloroethane 1213.74
    2-aminoethanol 232.07
    morpholine-4-carbaldehyde 990.67
    sulfolane 2408.72
    2,2,4-trimethylpentane 61.02
    2-methyltetrahydrofuran 2706.9
    n-hexyl acetate 672.98
    isooctane 47.5
    2-(2-butoxyethoxy)ethanol 658.31
    sec-butyl acetate 566.2
    tert-butyl acetate 1012.48
    decalin 74.02
    glycerin 161.51
    diglyme 1341.5
    acrylic acid 217.12
    isopropyl myristate 234.98
    n-butyric acid 1208.68
    acetyl acetate 473.08
    di(2-ethylhexyl) phthalate 146.71
    ethyl propionate 568.98
    nitromethane 1019.01
    1,2-diethoxyethane 1101.67
    benzonitrile 279.93
    trioctyl phosphate 137.65
    1-bromopropane 1013.12
    gamma-valerolactone 2288.04
    n-decanol 141.7
    triethyl phosphate 206.47
    4-methyl-2-pentanol 370.45
    propionitrile 436.85
    vinylene carbonate 459.96
    1,1,2-trichlorotrifluoroethane 916.06
    DMS 339.23
    cumene 102.69
    2-octanol 206.35
    2-hexanone 899.76
    octyl acetate 287.66
    limonene 231.77
    1,2-dimethoxyethane 1571.94
    ethyl orthosilicate 234.86
    tributyl phosphate 177.39
    diacetone alcohol 1010.72
    N,N-dimethylaniline 223.08
    acrylonitrile 331.3
    aniline 371.04
    1,3-propanediol 592.34
    bromobenzene 374.65
    dibromomethane 950.81
    1,1,2,2-tetrachloroethane 1544.1
    2-methyl-cyclohexyl acetate 410.46
    tetrabutyl urea 253.02
    diisobutyl methanol 208.25
    2-phenylethanol 248.53
    styrene 174.96
    dioctyl adipate 326.22
    dimethyl sulfate 467.92
    ethyl butyrate 604.05
    methyl lactate 305.39
    butyl lactate 429.88
    diethyl carbonate 289.57
    propanediol butyl ether 436.77
    triethyl orthoformate 421.22
    p-tert-butyltoluene 109.72
    methyl 4-tert-butylbenzoate 382.93
    morpholine 2539.29
    tert-butylamine 907.21
    n-dodecanol 102.44
    dimethoxymethane 1525.46
    ethylene carbonate 527.15
    cyrene 334.49
    2-ethoxyethyl acetate 744.12
    2-ethylhexyl acetate 536.49
    1,2,4-trichlorobenzene 382.18
    4-methylpyridine 760.26
    dibutyl ether 592.59
    2,6-dimethyl-4-heptanol 208.25
    DEF 1075.54
    dimethyl isosorbide 718.36
    tetrachloroethylene 890.25
    eugenol 290.13
    triacetin 512.92
    span 80 343.17
    1,4-butanediol 142.34
    1,1-dichloroethane 1275.45
    2-methyl-1-pentanol 480.78
    methyl formate 342.11
    2-methyl-1-butanol 793.18
    n-decane 43.98
    butyronitrile 748.72
    3,7-dimethyl-1-octanol 260.74
    1-chlorooctane 207.12
    1-chlorotetradecane 62.88
    n-nonane 44.94
    undecane 27.63
    tert-butylcyclohexane 65.58
    cyclooctane 70.3
    cyclopentanol 1084.05
    tetrahydropyran 3359.61
    tert-amyl methyl ether 867.41
    2,5,8-trioxanonane 717.15
    1-hexene 353.26
    2-isopropoxyethanol 605.38
    2,2,2-trifluoroethanol 131.08
    methyl butyrate 858.21

    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