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Neopentane

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Name

Neopentane

EINECS 207-343-7
CAS No. 463-82-1 Density 0.649 g/cm3
Solubility Melting Point
Formula C5H12 Boiling Point 7.2 ºC at 760 mmHg
Molecular Weight 72.17 Flash Point °C
Transport Information Appearance
Safety Poison by intraperitoneal route. An inhalation hazard. Both the gas and the liquid are flammable when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits acrid smoke and irritating fumes. Risk Codes
Molecular Structure Molecular Structure of 463-82-1 (Propane, 2,2-dimethyl-) Hazard Symbols Highly flammable, dangerous fire risk, explosive limits in air 1.4–7.5%.
Synonyms

1,1,1-Trimethylethane;2,2-Dimethylpropane;Neopentane;Tetramethylmethane;tert-Pentane;

 

Neopentane Consensus Reports

NEOPENTANE's Reported in EPA TSCA Inventory.

Neopentane Standards and Recommendations

ACGIH TLV: TWA 600 ppm
DFG MAK: 1000 ppm (3000 mg/m3)
NIOSH REL: TWA 120 ppm; CL 610 ppm/15M
DOT Classification:  2.1; Label: Flammable Gas

Neopentane Specification

The Neopentane, with the CAS registry number 463-82-1,is also known as 1,1,1-Trimethylethane. It belongs to the product categories of Organics.Its EINECS number is 207-343-7. This chemical's molecular formula is C5H12 and molecular weight is 72.15. What's more,Its systematic name is Neopentane.The Neopentane is extremely Flammable ,so you should keep away from sources of ignition - No smoking .And it toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment ,so the chemical should be avoid release to the environment. Refer to special instructions safety data sheet .And keep container in a well-ventilated place .The govenment should take precautionary measures against static discharges .

Physical properties about Neopentane are:
(1)ACD/LogP:  3; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  3.00; (4)ACD/LogD (pH 7.4):  3.00; (5)ACD/BCF (pH 5.5):  112.26; (6)ACD/BCF (pH 7.4):  112.26; (7)ACD/KOC (pH 5.5):  1021.29; (8)ACD/KOC (pH 7.4):  1021.29; (9)#H bond acceptors:  0; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  0; (12)Index of Refraction:  1.371; (13)Molar Refractivity:  25.179 cm3; (14)Molar Volume:  111.118 cm3; (15)Surface Tension:  17.1639995574951 dyne/cm; (16)Density:  0.649 g/cm3; (17)Flash Point:  -66.016 °C; (18)Enthalpy of Vaporization:  24.507 kJ/mol; (19)Boiling Point:  7.223 °C at 760 mmHg; (20)Vapour Pressure:  1415.40600585938 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)C;
(2)Std. InChI:InChI=1S/C5H12/c1-5(2,3)4/h1-4H3;
(3)Std. InChIKey:CRSOQBOWXPBRES-UHFFFAOYSA-N.

The toxicity data of Neopentane are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 1097gm/m3/2H (1097000mg/m3) BEHAVIORAL: EXCITEMENT Journal of Pharmacology and Experimental Therapeutics. Vol. 58, Pg. 74, 1936.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Hindustan Antibiotics Bulletin. Vol. 10, Pg. 206, 1968.

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