isohexane

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Names

[ CAS No. ]:
107-83-5

[ Name ]:
isohexane

[Synonym ]:
Pentane, 2-methyl-
2-Methyl pentane
2,4-dimethylbutane
isohexane
EINECS 203-523-4
2-Methylpentan
4-methylpentane
2-methyl-pentane
Dimethylpropylmethane
MFCD00009406
1,1-Dimethylbutane
Pentane,2-methyl
dimethyl butane
iso-Hexan
2-Methylpentane

Chemical & Physical Properties

[ Density]:
0.7±0.1 g/cm3

[ Boiling Point ]:
59.6±3.0 °C at 760 mmHg

[ Melting Point ]:
-154 °C

[ Molecular Formula ]:
C₆H₁₄

[ Molecular Weight ]:
86.175

[ Flash Point ]:
-23.3±0.0 °C

[ Exact Mass ]:
86.109550

[ LogP ]:
3.76

[ Vapour density ]:
3 (vs air)

[ Vapour Pressure ]:
212.9±0.0 mmHg at 25°C

[ Index of Refraction ]:
1.382

[ Stability ]:
Stable. Highly flammable. Gas/vapour mixtures explosive at some concentrations.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA2985000

CHEMICAL NAME :: Pentane, 2-methyl-

CAS REGISTRY NUMBER :: 107-83-5

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C6-H14

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/kg/4W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Related to Chronic Data - death

REFERENCE :: TIHEEC Toxicology and Industrial Health. (Princeton Scientific Pub. Co., POB 2155, Princeton, NJ 08540) V.1- 1985- Volume(issue)/page/year: 1(3),67,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82894 No. of Facilities: 13 (estimated) No. of Industries: 3 No. of Occupations: 3 No. of Employees: 533 (estimated) No. of Female Employees: 216 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H304-H315-H336-H411

[ Precautionary Statements ]:
P210-P261-P273-P301 + P310-P331

[ Hazard Codes ]:
F:Highlyflammable;Xn:Harmful;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R11;R38;R51/53;R65

[ Safety Phrases ]:
S9-S16-S29-S33-S61-S62

[ RIDADR ]:
UN 1208 3/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
SA2985000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
2901100000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

4-Methyl-2-pentanone
Methylcyclopentane
2-METHYLPENTENE
N-hexane
carbon monoxide
2-Methylglutaronitrile
Pentane
1-Pentene, 4-methyl-
Methanol

DownStream

2-Methyl-3-pentanone
4-Methyl-2-pentanone
perfluoro-2-methylpentane
Perfluorohexane
1,1,1,2,2,3,4,4,5,5,5-Undecafluoro-3-(trifluoromethyl)pentane
Nonafluoro(trifluoromethyl)cyclopentane
1,1,1,2,2,4,4,4-octafluoro-3,3-bis(trifluoromethyl)butane
2,4-dimethylpentane
isoheptane
2,3-Dimethylpentane

Customs

[ HS Code ]: 2901100000

[ Summary ]:
2901100000 saturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Articles

Antioxidants Inhibit Formation of 3-Monochloropropane-1,2-diol Esters in Model Reactions.

J. Agric. Food Chem. 63 , 9850-4, (2015)

The capacities of six antioxidants to inhibit the formation of 3-monochloropropane-1,2 diol (3-MCPD) esters were examined in this study. Inhibitory capacities of the antioxidants were investigated bot...

Exposure assessment of 3-monochloropropane-1, 2-diol esters from edible oils and fats in China.

Food Chem. Toxicol. 75 , 8-13, (2015)

3-monochoropropane-1, 2-diol (3-MCPD) esters from edible oils are considered to be a possible risk factor for adverse effects in human. In the present study, the exposure assessment of 3-MCPD esters t...

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...