493-01-6

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493-01-6 Structure

Identification	More
[Name] CIS-DECAHYDRONAPHTHALENE
[CAS] 493-01-6
[Synonyms] CIS-DECAHYDRONAPHTHALENE CIS-DECALIN CIS-NAPHTHALANE CIS-PERHYDRONAPHTHALENE c-Decahydronaphthalene c-Decalin cis-Bicyclo[4.4.0]Decane cis-decahydronaphthalenen cis-Decahydronapthalene cis-naphthalen decahydronaphthalene(cis-) decahydronaphthalene, cis cis-decaline CIS-DECAHYDRONAPHTHALENE OEKANAL, 250 MG cis-Decahydronaphthalene,99% Naphthalene, decahydro-, cis- cis-dekalin cis-Decahydronaphthalene [Standard Material] Decahydronaphthalene, cis-: (cis-Decalin) cis-Decalin(R)
[EINECS(EC#)] 207-770-9
[Molecular Formula] C10H18
[MDL Number] MFCD00064189
[Molecular Weight] 138.25
[MOL File] 493-01-6.mol

Chemical Properties	Back Directory
[Appearance] colourless liquid
[Melting point ] −43 °C(lit.)
[Boiling point ] 193 °C(lit.)
[density ] 0.897 g/mL at 25 °C(lit.)
[vapor density ] 4.76 (vs air)
[vapor pressure ] 42 mm Hg ( 92 °C)
[refractive index ] n20/D 1.481(lit.)
[Fp ] 137 °F
[storage temp. ] Sealed in dry,Room Temperature
[form ] clear liquid
[color ] Colorless to Almost colorless
[Stability:] Stable. Incompatible with oxidizing agents. May form explosive peroxides. Heat and light accelerate peroxide formation.
[explosive limit] 0.7-4.9%, 100°F
[Water Solubility ] 8.92g/L(300 ºC)
[Specific Heat Capacity] Cp(liquid):232J/(g·K),at 25℃
[Merck ] 2846
[BRN ] 1900822
[Henry's Law Constant] 4.3×10^-4 mol/(m³Pa) at 25℃, Mackay et al. (1993)
[Dielectric constant] 2.2（20℃）
[InChI] 1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10+
[InChIKey] NNBZCPXTIHJBJL-AOOOYVTPSA-N
[SMILES] [H][C@]12CCCC[C@@]1([H])CCCC2
[Surface tension] 32.1mN/m at 298.15K
[CAS DataBase Reference] 493-01-6(CAS DataBase Reference)
[EPA Substance Registry System] cis-Decahydronaphthalene (493-01-6)

Safety Data	Back Directory
[Hazard Codes ] Xn
[Risk Statements ] R20:Harmful by inhalation. R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .
[RIDADR ] UN 1147 3/PG 3
[WGK Germany ] 3
[RTECS ] QJ3150000
[Autoignition Temperature] 482 °F
[TSCA ] TSCA listed
[HazardClass ] 3.2
[PackingGroup ] III
[HS Code ] 29021990
[Storage Class] 3 - Flammable liquids
[Hazard Classifications] Acute Tox. 3 Inhalation Aquatic Chronic 2 Asp. Tox. 1 Eye Irrit. 2 Flam. Liq. 3 Skin Corr. 1C

Hazard Information	Back Directory
[Chemical Properties] colourless liquid
[Uses] cis-Decahydronaphthalene is used as a quantitation standard in the determination of sesquiterpanes.
[Definition] ChEBI: Decalin is an ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. It has a role as a solvent.
[Purification Methods] Purification methods described for the mixed isomers are applicable here. The individual isomers can be separated by very efficient fractional distillation, followed by fractional crystallisation by partial freezing. The cis-isomer reacts preferentially with AlCl3 and can be removed from the trans-isomer by stirring the mixture with a limited amount of AlCl3 for 48hours at room temperature, filtering and distilling. [Seyer & Walker J Am Chem Soc 60 2125 1938, Baker & Schuetz J Am Chem Soc 69 1250 1949.] A very pure authentic sample is best obtained by synthesis from cis-1,2-bis-chloroethylcyclohexane [Whitesides & Gutowski J Org Chem 41 2882 1976, Beilstein 5 IV 310.]

Spectrum Detail	Back Directory
[Spectrum Detail] CIS-DECAHYDRONAPHTHALENE(493-01-6)MS CIS-DECAHYDRONAPHTHALENE(493-01-6)¹HNMR CIS-DECAHYDRONAPHTHALENE(493-01-6)¹³CNMR CIS-DECAHYDRONAPHTHALENE(493-01-6)IR1 CIS-DECAHYDRONAPHTHALENE(493-01-6)IR2 CIS-DECAHYDRONAPHTHALENE(493-01-6)Raman

Well-known Reagent Company Product Information	Back Directory
[Sigma Aldrich] 493-01-6(sigmaaldrich)
[TCI AMERICA] cis-Decahydronaphthalene,>98.0%(GC)(493-01-6)

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