1,2,3,4,5,8-Hexahydronaphthalene

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  • Identifiers

    CAS number
    36231-13-7

    Molecular formula
    C10H14

    SMILES
    C1CCC2=C(C1)CC=CC2

    Safety labels

  • Odor profile

    Fragrance
    Sweet 47.54%
    Woody 43.59%
    Dry 33.91%
    Citrus 30.63%
    Musk 30.27%
    Balsamic 29.41%
    Green 26.29%
    Waxy 26.23%
    Animal 26.1%
    Spicy 25.58%

     

    Flavor
    Animal 35.05%
    Ammoniacal 24.82%
    Shrimp 21.96%
    Alkaline 21.41%
    Wood 19.46%
    Sweet 19.27%
    Tar 18.48%
    Tarry 18.43%
    Cereal 18.32%
    Terpentine 18.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    10.36 (weak base)

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    216°C

    Flash point

    • 61.01 ˚C est.

  • Synonyms

    • 1,2,3,4,5,8-Hexahydronaphthalene
    • 36231-13-7
    • DTXSID00189783
    • RefChem:71256
    • DTXCID60112274
    • CCLPTDRLVDMCRP-UHFFFAOYSA-N
    • SCHEMBL184495
    • SCHEMBL184496
    • SCHEMBL3221127
    • AKOS006273259
    • 36231-13-7

  • Applications

    1,2,3,4,5,8-Hexahydronaphthalene (CAS 36231-13-7) is a nonpolar bicyclic hydrocarbon primarily used as an organic-synthesis intermediate. In industry, it is commonly evaluated as a scaffold for the synthesis of bicyclic fragrance-related compounds in perfumery, and it may serve as a starting material in pharmaceutical research. It also functions as a rigid hydrocarbon fragment in polymer and materials science, including specialty coatings and inks, and is explored as a building block in electronic-materials development under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.73
    methanol 41.54
    isopropanol 47.39
    water 0.06
    ethyl acetate 281.83
    n-propanol 64.31
    acetone 231.31
    n-butanol 75.13
    acetonitrile 155.58
    DMF 305.12
    toluene 418.65
    isobutanol 54.92
    1,4-dioxane 566.97
    methyl acetate 229.12
    THF 658.0
    2-butanone 261.83
    n-pentanol 65.8
    sec-butanol 63.62
    n-hexane 105.11
    ethylene glycol 9.86
    NMP 433.65
    cyclohexane 179.28
    DMSO 229.15
    n-butyl acetate 333.8
    n-octanol 75.03
    chloroform 784.53
    n-propyl acetate 212.56
    acetic acid 67.22
    dichloromethane 703.5
    cyclohexanone 523.2
    propylene glycol 16.78
    isopropyl acetate 221.98
    DMAc 279.8
    2-ethoxyethanol 93.23
    isopentanol 75.74
    n-heptane 131.27
    ethyl formate 124.43
    1,2-dichloroethane 494.85
    n-hexanol 132.08
    2-methoxyethanol 116.99
    isobutyl acetate 167.31
    tetrachloromethane 220.84
    n-pentyl acetate 187.52
    transcutol 511.18
    n-heptanol 73.66
    ethylbenzene 198.76
    MIBK 194.31
    2-propoxyethanol 180.34
    tert-butanol 81.24
    MTBE 175.29
    2-butoxyethanol 117.12
    propionic acid 84.07
    o-xylene 238.14
    formic acid 12.11
    diethyl ether 270.57
    m-xylene 254.28
    p-xylene 227.72
    chlorobenzene 376.75
    dimethyl carbonate 126.72
    n-octane 51.35
    formamide 25.56
    cyclopentanone 577.49
    2-pentanone 253.76
    anisole 295.45
    cyclopentyl methyl ether 455.01
    gamma-butyrolactone 509.41
    1-methoxy-2-propanol 119.01
    pyridine 538.77
    3-pentanone 276.24
    furfural 439.68
    n-dodecane 35.89
    diethylene glycol 86.33
    diisopropyl ether 136.85
    tert-amyl alcohol 79.87
    acetylacetone 349.55
    n-hexadecane 42.6
    acetophenone 255.88
    methyl propionate 222.99
    isopentyl acetate 285.54
    trichloroethylene 802.99
    n-nonanol 75.95
    cyclohexanol 127.97
    benzyl alcohol 133.65
    2-ethylhexanol 135.45
    isooctanol 71.51
    dipropyl ether 349.74
    1,2-dichlorobenzene 369.39
    ethyl lactate 79.09
    propylene carbonate 303.19
    n-methylformamide 87.83
    2-pentanol 69.47
    n-pentane 74.53
    1-propoxy-2-propanol 174.65
    1-methoxy-2-propyl acetate 274.83
    2-(2-methoxypropoxy) propanol 158.97
    mesitylene 193.03
    ε-caprolactone 399.65
    p-cymene 157.71
    epichlorohydrin 549.49
    1,1,1-trichloroethane 588.66
    2-aminoethanol 22.15
    morpholine-4-carbaldehyde 444.29
    sulfolane 559.34
    2,2,4-trimethylpentane 42.3
    2-methyltetrahydrofuran 486.45
    n-hexyl acetate 227.2
    isooctane 41.99
    2-(2-butoxyethoxy)ethanol 189.69
    sec-butyl acetate 172.02
    tert-butyl acetate 251.39
    decalin 104.92
    glycerin 29.37
    diglyme 451.87
    acrylic acid 73.68
    isopropyl myristate 134.95
    n-butyric acid 146.99
    acetyl acetate 234.69
    di(2-ethylhexyl) phthalate 92.84
    ethyl propionate 217.18
    nitromethane 175.92
    1,2-diethoxyethane 355.79
    benzonitrile 251.53
    trioctyl phosphate 66.75
    1-bromopropane 363.49
    gamma-valerolactone 548.56
    n-decanol 63.34
    triethyl phosphate 150.27
    4-methyl-2-pentanol 61.14
    propionitrile 190.42
    vinylene carbonate 276.29
    1,1,2-trichlorotrifluoroethane 259.95
    DMS 221.01
    cumene 139.71
    2-octanol 59.73
    2-hexanone 218.6
    octyl acetate 140.41
    limonene 231.24
    1,2-dimethoxyethane 328.79
    ethyl orthosilicate 147.53
    tributyl phosphate 96.33
    diacetone alcohol 170.06
    N,N-dimethylaniline 200.79
    acrylonitrile 203.8
    aniline 216.89
    1,3-propanediol 38.84
    bromobenzene 521.15
    dibromomethane 509.66
    1,1,2,2-tetrachloroethane 652.92
    2-methyl-cyclohexyl acetate 209.57
    tetrabutyl urea 130.1
    diisobutyl methanol 113.65
    2-phenylethanol 157.48
    styrene 249.25
    dioctyl adipate 164.54
    dimethyl sulfate 193.83
    ethyl butyrate 296.64
    methyl lactate 75.64
    butyl lactate 102.06
    diethyl carbonate 190.3
    propanediol butyl ether 76.81
    triethyl orthoformate 208.49
    p-tert-butyltoluene 153.25
    methyl 4-tert-butylbenzoate 196.53
    morpholine 428.42
    tert-butylamine 74.62
    n-dodecanol 57.7
    dimethoxymethane 275.3
    ethylene carbonate 244.43
    cyrene 145.58
    2-ethoxyethyl acetate 228.81
    2-ethylhexyl acetate 257.22
    1,2,4-trichlorobenzene 400.24
    4-methylpyridine 494.5
    dibutyl ether 232.55
    2,6-dimethyl-4-heptanol 113.65
    DEF 309.59
    dimethyl isosorbide 356.81
    tetrachloroethylene 434.24
    eugenol 155.95
    triacetin 220.76
    span 80 132.3
    1,4-butanediol 19.82
    1,1-dichloroethane 438.02
    2-methyl-1-pentanol 72.31
    methyl formate 85.46
    2-methyl-1-butanol 74.89
    n-decane 56.5
    butyronitrile 176.09
    3,7-dimethyl-1-octanol 99.54
    1-chlorooctane 138.06
    1-chlorotetradecane 70.39
    n-nonane 58.54
    undecane 43.68
    tert-butylcyclohexane 90.13
    cyclooctane 100.32
    cyclopentanol 126.79
    tetrahydropyran 499.6
    tert-amyl methyl ether 161.68
    2,5,8-trioxanonane 319.88
    1-hexene 185.48
    2-isopropoxyethanol 90.79
    2,2,2-trifluoroethanol 35.99
    methyl butyrate 251.82

    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