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91-17-8

Basic Information
CAS No.: 91-17-8
Name: Naphthalene, decahydro-
Article Data: 147
Cas Database
Molecular Structure:
Molecular Structure of 91-17-8 (Naphthalene, decahydro-)
Formula: C10H18
Molecular Weight: 138.253
Synonyms: Bicyclo[4.4.0]decane;Decalin;Decaline;Dekalin;NSC 406139;Naphthan;Perhydronaphthalene;1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalene;Decahydronaphthalene;
EINECS: 202-046-9
Density: 0.872 g/cm3
Melting Point: -125 °C(lit.)
Boiling Point: 190.9 °C at 760 mmHg
Flash Point: 57.2 °C
Solubility: Insoluble in water, soluble in methanol, ethanol, chloroform, benzene, acetone
Appearance: colourless liquid
Hazard Symbols: IrritantXi
Risk Codes: 20-34-51/53-36/37/38
Safety: 26-36/37/39-45-60-24/25-23
Transport Information: UN 1147 3/PG 3
PSA: 0.00000
LogP: 3.36680
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    Decahydronaphthalene

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

The Decahydronaphthalene,with the CAS registry number 91-17-8, is also known as Perhydronaphthalene. Its EINECS number is 202-046-9. This chemical's molecular formula is C10H18 and molecular weight is 138.25. What's more, its systematic name is decahydronaphthalene. Its classification codes are: (1)Human Data; (2)Tumor data. It is flammable liquid with a high flash point. It can be used as a solvent and lubricant for naphthalene, fats, resins, oils, waxes, and it can be used as a substitution of turpentine in lacquers, shoe polishes, floor waxes, in motor fuel & lubricants, patent fuel in stoves. It should be sealed and stored in a cool place with iron, mild steel, copper or aluminum-made containers. It easily forms explosive organic peroxides upon storage in the presence of air.The Decahydronaphthalene can be prepared by naphthalene through catalytic hydrogenation in industry.

Physical properties of Decahydronaphthalene are:
(1)ACD/LogP: 4.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.93; (4)ACD/LogD (pH 7.4): 4.93; (5)ACD/BCF (pH 5.5): 3300.84; (6)ACD/BCF (pH 7.4): 3300.84; (7)ACD/KOC (pH 5.5): 11487.5; (8)ACD/KOC (pH 7.4): 11487.5; (9)Index of Refraction: 1.469; (10)Molar Refractivity: 44.16 cm3; (11)Molar Volume: 158.4 cm3; (12)Polarizability: 17.51×10-24cm3; (13)Surface Tension: 29.4 dyne/cm; (14)Density: 0.872 g/cm3; (15)Flash Point: 57.2 °C; (16)Enthalpy of Vaporization: 40.96 kJ/mol; (17)Boiling Point: 190.9 °C at 760 mmHg; (18)Vapour Pressure: 0.735 mmHg at 25°C.

Uses of Decahydronaphthalene:
It can be used to produce cis-fluoro-decalin at the temperature of -75 °C. It will need reagent F2 and solvents CCl3F, CHCl3. The yield is about 90%.
Decahydronaphthalene can be used to produce cis-fluoro-decalin at the temperature of -75 °C

Safety information of Decahydronaphthalene:
When you are using this chemical, please be cautious about it as the following: Decahydronaphthalene is harmful by inhalation. It can cause burns. It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It is irritating to eyes, respiratory system and skin, so you must avoid contact with skin and eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
(2)InChIKey: NNBZCPXTIHJBJL-UHFFFAOYSA-N
(3)Canonical SMILES: C1CCC2CCCCC2C1

The toxicity data of Decahydronaphthalene is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 319ppm/8H (319ppm) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
National Technical Information Service. Vol. AD-A086-341.
human TCLo inhalation 100ppm (100ppm) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
"Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 40, 1961.
mouse LCLo inhalation 993ppm/4H (993ppm)   National Technical Information Service. Vol. AD-A062-138.
rabbit LD50 skin 5900uL/kg (5.9mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LC50 inhalation 710ppm/4H (710ppm)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 215, 1992.
rat LD50 oral 4170mg/kg (4170mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.