isohexane
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
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
Precursor & DownStream
Precursor
DownStream
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
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...