Decahydronaphthalene

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  • Identifiers

    CAS number
    91-17-8

    Molecular formula
    C10H18

    SMILES
    C1CCC2CCCCC2C1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1057.0

  • Odor profile

    Sweet 47.73%
    Dry 41.09%
    Musk 36.99%
    Woody 33.55%
    Amber 32.28%
    Waxy 28.44%
    Animal 23.97%
    Citrus 21.58%
    Clean 19.88%
    Cedar 16.33%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    138.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • -44 °F (USCG, 1999)
    • -43 °C
    • -40 °C

    Boiling point

    • 383 °F at 760 mmHg (USCG, 1999)
    • 155.5 °C
    • 185-195 °C

    Flash point est.
    59.08 ˚C

    Flash point expt.

    • 134 °F (USCG, 1999)
    • 134 deg. F
    • 129 °F; 54 °C (Closed cup) /Trans-isomer/
    • 136 °F; 58 °C (CLOSED CUP)
    • 57 °C c.c.

    Solubility expt.

    • Very sol in alcohol, methanol, ether, chloroform. Miscible with propyl and isopropyl alcohol; miscible with most ketones and esters.
    • In water, 0.889 mg/l @ 25 °C
    • Solubility in water at 25 °C: very poor

  • Synonyms

    • DECAHYDRONAPHTHALENE
    • cis-Decahydronaphthalene
    • Decalin
    • trans-Decahydronaphthalene
    • 91-17-8
    • 493-01-6
    • 493-02-7
    • CIS-DECALIN
    • TRANS-DECALIN
    • Perhydronaphthalene
    • Dekalin
    • Naphthalene, decahydro-
    • Naphthalane
    • Naphthane
    • Naphthan
    • Dekalina
    • De-kalin
    • Bicyclo[4.4.0]decane
    • t-decalin
    • Naphthalene, decahydro-, cis-
    • cis-Perhydronaphthalene
    • cis-Bicyclo[4.4.0]decane
    • trans-Perhydronaphthalene
    • trans-Bicyclo[4.4.0]decane
    • Bicyclo(4.4.0)decane
    • Dekalina [Polish]
    • Dekahydronaphthalin
    • Decahydronaphthalene, trans-
    • 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
    • CCRIS 3410
    • HSDB 287
    • NSC 406139
    • c-decalin
    • Naphthalene, decahydro-, trans-
    • Decahydronaphthalin
    • EINECS 202-046-9
    • cis-Bicyclo(4.4.0)decane
    • MFCD00004130
    • trans-Bicyclo(4.4.0)decane
    • BRN 0878165
    • c-decahydronaphthalene
    • (4ar,8ar)-decahydronaphthalene
    • DTXSID1024912
    • CHEBI:38853
    • AI3-01256
    • 88451Q4XYF
    • DECALIN [MI]
    • EINECS 207-770-9
    • MFCD00064191
    • NSC 77452
    • NSC-406139
    • DTXCID304912
    • (4as,8as)-decahydronaphthalene
    • EC 202-046-9
    • DECAHYDRONAPHTHALENE [HSDB]
    • 3-05-00-00245 (Beilstein Handbook Reference)
    • DECAHYDRONAPHTHALENE [WHO-DD]
    • UN 1147
    • DEKALINA (POLISH)
    • Decahydronaphthalene (Mixture of Cis + Trans)
    • UN1147
    • napthalane
    • cisDecalin
    • trans decalin
    • UNII-88451Q4XYF
    • decahydronaphtalene
    • Decalin(R)
    • Naphthalene, cis-
    • Decanhydronaphthalene
    • EINECS 207-771-4
    • cisPerhydronaphthalene
    • MFCD00064189
    • NSC 77453
    • naphthalene, decahydro
    • DE KALIN
    • PERHYDRONAPTHALENE
    • (E)-Decahydronaphthalene
    • (Z)-Decahydronaphthalene
    • Decahydronaphthalene, cis
    • cisBicyclo(4.4.0)decane
    • NAPHTHALENE DECAHYDRO
    • Naphthalene, decahydro, cis
    • Decahydronaphthalene, (E)-
    • Decahydronaphthalene, (Z)-
    • WLN: L66TJ
    • MLS001055339
    • cis-Decahydronaphthalene, 99%
    • CHEMBL1491920
    • CHEBI:38860
    • CHEBI:38863
    • trans-Decahydronaphthalene, 99%
    • DTXSID00873337
    • DTXSID90883405
    • Decahydronaphthalene, cis + trans
    • HMS3039O03
    • NSC77452
    • NSC77453
    • STR05788
    • Tox21_200222
    • NSC-77452
    • NSC-77453
    • NSC406139
    • STL280340
    • AKOS009031622
    • AKOS016010284
    • AKOS025295369
    • AT32906
    • AT32907
    • CAS-91-17-8
    • NCGC00090716-01
    • NCGC00090716-02
    • NCGC00257776-01
    • BS-23504
    • BS-23873
    • SMR000673566
    • SY128056
    • DB-051621
    • DB-051622
    • DB-057244
    • D0007
    • D0008
    • D0009
    • D1738
    • NS00003533
    • NS00079855
    • NS00080102
    • Decahydronaphthalene (cis- and trans- mixture)
    • A843747

  • Applications

    Decahydronaphthalene (Decalin, CAS 91-17-8) is a saturated bicyclic hydrocarbon with high boiling point and strong solvency, widely used as a solvent or diluent for resins, oils, waxes, bitumen, and rubber in coatings, adhesives, and printing inks; as a flushing and cleaning solvent for process lines and apparatus, and as a thermally robust inert medium in organic synthesis; in materials and polymer science it is employed to dissolve and process polyolefins (notably polypropylene) for intrinsic-viscosity, rheology, and high-temperature GPC, to swell or elute elastomers, and to disperse carbon nanotubes, graphene, and hydrophobic pigments; in soft-matter optics and analysis it serves as a refractive-index-matching and light-scattering medium for PMMA colloids and confocal microscopy; in energy research Decalin represents the naphthene fraction in jet and diesel surrogate fuels for autoignition and soot studies and functions as a hydrogen-donor solvent for coal liquefaction or heavy-oil upgrading via reversible dehydrogenation to naphthalene, with the naphthalene–decalin pair investigated as a liquid organic hydrogen carrier (LOHC); other specialty uses include carrier-solvent roles in oilfield and lubrication formulations that require a nonpolar, high-boiling, low-aromatic solvent, with appropriate controls for flammability and VOC emissions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 147.02
    methanol 95.43
    isopropanol 165.51
    water 0.06
    ethyl acetate 817.68
    n-propanol 218.63
    acetone 674.68
    n-butanol 264.47
    acetonitrile 395.99
    DMF 582.3
    toluene 918.58
    isobutanol 195.45
    1,4-dioxane 1362.54
    methyl acetate 614.41
    THF 2361.33
    2-butanone 693.17
    n-pentanol 161.2
    sec-butanol 202.9
    n-hexane 385.41
    ethylene glycol 19.0
    NMP 921.14
    cyclohexane 837.26
    DMSO 498.39
    n-butyl acetate 1279.0
    n-octanol 212.79
    chloroform 2121.52
    n-propyl acetate 601.89
    acetic acid 166.29
    dichloromethane 1872.59
    cyclohexanone 1593.3
    propylene glycol 39.93
    isopropyl acetate 627.63
    DMAc 466.2
    2-ethoxyethanol 199.31
    isopentanol 253.7
    n-heptane 613.16
    ethyl formate 400.42
    1,2-dichloroethane 1363.48
    n-hexanol 404.99
    2-methoxyethanol 291.59
    isobutyl acetate 446.53
    tetrachloromethane 667.19
    n-pentyl acetate 556.39
    transcutol 917.07
    n-heptanol 212.24
    ethylbenzene 387.06
    MIBK 506.13
    2-propoxyethanol 506.91
    tert-butanol 269.29
    MTBE 578.85
    2-butoxyethanol 295.39
    propionic acid 256.99
    o-xylene 488.72
    formic acid 22.94
    diethyl ether 892.94
    m-xylene 522.17
    p-xylene 478.16
    chlorobenzene 996.21
    dimethyl carbonate 253.3
    n-octane 199.43
    formamide 48.38
    cyclopentanone 1746.27
    2-pentanone 717.71
    anisole 541.87
    cyclopentyl methyl ether 1325.17
    gamma-butyrolactone 1589.99
    1-methoxy-2-propanol 310.49
    pyridine 1247.62
    3-pentanone 693.71
    furfural 1084.7
    n-dodecane 106.81
    diethylene glycol 181.88
    diisopropyl ether 408.96
    tert-amyl alcohol 243.6
    acetylacetone 816.87
    n-hexadecane 128.52
    acetophenone 456.28
    methyl propionate 559.93
    isopentyl acetate 977.28
    trichloroethylene 2022.34
    n-nonanol 210.35
    cyclohexanol 456.69
    benzyl alcohol 252.22
    2-ethylhexanol 452.58
    isooctanol 202.33
    dipropyl ether 1368.83
    1,2-dichlorobenzene 910.45
    ethyl lactate 186.9
    propylene carbonate 974.83
    n-methylformamide 215.56
    2-pentanol 239.74
    n-pentane 294.88
    1-propoxy-2-propanol 567.55
    1-methoxy-2-propyl acetate 785.83
    2-(2-methoxypropoxy) propanol 291.02
    mesitylene 411.53
    ε-caprolactone 1195.03
    p-cymene 414.28
    epichlorohydrin 1536.7
    1,1,1-trichloroethane 1628.63
    2-aminoethanol 53.71
    morpholine-4-carbaldehyde 872.38
    sulfolane 1617.65
    2,2,4-trimethylpentane 131.82
    2-methyltetrahydrofuran 1610.86
    n-hexyl acetate 639.21
    isooctane 134.77
    2-(2-butoxyethoxy)ethanol 385.39
    sec-butyl acetate 455.76
    tert-butyl acetate 721.88
    decalin 279.37
    glycerin 59.74
    diglyme 948.51
    acrylic acid 189.42
    isopropyl myristate 357.33
    n-butyric acid 500.54
    acetyl acetate 621.5
    di(2-ethylhexyl) phthalate 188.71
    ethyl propionate 571.29
    nitromethane 419.98
    1,2-diethoxyethane 940.02
    benzonitrile 568.56
    trioctyl phosphate 172.17
    1-bromopropane 1113.79
    gamma-valerolactone 1498.23
    n-decanol 167.4
    triethyl phosphate 373.21
    4-methyl-2-pentanol 177.55
    propionitrile 541.06
    vinylene carbonate 766.88
    1,1,2-trichlorotrifluoroethane 581.44
    DMS 422.3
    cumene 272.36
    2-octanol 173.53
    2-hexanone 574.93
    octyl acetate 362.52
    limonene 704.12
    1,2-dimethoxyethane 775.28
    ethyl orthosilicate 371.11
    tributyl phosphate 250.14
    diacetone alcohol 418.97
    N,N-dimethylaniline 348.75
    acrylonitrile 541.09
    aniline 544.14
    1,3-propanediol 113.29
    bromobenzene 1313.38
    dibromomethane 1458.85
    1,1,2,2-tetrachloroethane 1677.39
    2-methyl-cyclohexyl acetate 577.39
    tetrabutyl urea 303.26
    diisobutyl methanol 371.09
    2-phenylethanol 360.4
    styrene 502.8
    dioctyl adipate 378.78
    dimethyl sulfate 341.92
    ethyl butyrate 1025.41
    methyl lactate 173.25
    butyl lactate 290.82
    diethyl carbonate 581.58
    propanediol butyl ether 177.05
    triethyl orthoformate 705.54
    p-tert-butyltoluene 413.57
    methyl 4-tert-butylbenzoate 406.08
    morpholine 1122.47
    tert-butylamine 251.38
    n-dodecanol 145.07
    dimethoxymethane 575.33
    ethylene carbonate 761.24
    cyrene 278.85
    2-ethoxyethyl acetate 542.79
    2-ethylhexyl acetate 883.46
    1,2,4-trichlorobenzene 886.93
    4-methylpyridine 1138.63
    dibutyl ether 825.86
    2,6-dimethyl-4-heptanol 371.09
    DEF 778.69
    dimethyl isosorbide 780.26
    tetrachloroethylene 1139.04
    eugenol 279.64
    triacetin 463.42
    span 80 294.72
    1,4-butanediol 44.59
    1,1-dichloroethane 1218.89
    2-methyl-1-pentanol 174.18
    methyl formate 217.25
    2-methyl-1-butanol 237.35
    n-decane 190.7
    butyronitrile 598.4
    3,7-dimethyl-1-octanol 294.5
    1-chlorooctane 427.48
    1-chlorotetradecane 185.16
    n-nonane 215.66
    undecane 135.66
    tert-butylcyclohexane 236.85
    cyclooctane 390.69
    cyclopentanol 480.85
    tetrahydropyran 1696.54
    tert-amyl methyl ether 486.24
    2,5,8-trioxanonane 583.36
    1-hexene 586.39
    2-isopropoxyethanol 190.67
    2,2,2-trifluoroethanol 75.86
    methyl butyrate 723.18

    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

Botanical

Name CAS Botanical Proportion
Alpinia japonica Alpinia japonica Miq., fam. Zingiberaceae 1.5%
Amomum villosum (China) 1g leaf Amomum villosum Lour., fam. Zingiberaceae 0.2%