2,2,4-Trimethylpentane

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Names

[ CAS No. ]:
540-84-1

[ Name ]:
2,2,4-Trimethylpentane

[Synonym ]:
2,4,4-Trimethylpentane
EINECS 208-759-1
Isobutyltrimethylmethane
Pentane, 2,2,4-trimethyl-
trimethyl isobutyl methane
iso-octane
Isooctane
MFCD00008943
ASTM D-471 fuel A
Pentane,2,2,4-trimethyl
2,2,4-TRIMETHYL-[1,4,2]OXAZASILINANE
2, 2, 4-Trimethylpentane
2,2,4-Trimethylpentane
2,2,4-trimethyl-pentane

Chemical & Physical Properties

[ Density]:
0.7±0.1 g/cm3

[ Boiling Point ]:
98.8±7.0 °C at 760 mmHg

[ Melting Point ]:
-107 °C

[ Molecular Formula ]:
C₈H₁₈

[ Molecular Weight ]:
114.229

[ Flash Point ]:
-7.8±0.0 °C

[ Exact Mass ]:
114.140854

[ LogP ]:
4.46

[ Vapour density ]:
3.9 (vs air)

[ Vapour Pressure ]:
45.2±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.400

[ Stability ]:
Stable. Highly flammable. Incompatible with oxidizing agents, reducing agents.

[ Water Solubility ]:
INSOLUBLE

[ Freezing Point ]:
-107.52℃

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA3320000

CHEMICAL NAME :: Pentane, 2,2,4-trimethyl-

CAS REGISTRY NUMBER :: 540-84-1

BEILSTEIN REFERENCE NO. :: 1696876

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C8-H18

MOLECULAR WEIGHT :: 114.26

WISWESSER LINE NOTATION :: 1Y1&1X1&1&1

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 8 mL/kg/2W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes in urine composition

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2100 mg/kg/21D-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)

TYPE OF TEST :: Unscheduled DNA synthesis

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 85,11,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81210 No. of Facilities: 663 (estimated) No. of Industries: 14 No. of Occupations: 18 No. of Employees: 31908 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81210 No. of Facilities: 290 (estimated) No. of Industries: 7 No. of Occupations: 6 No. of Employees: 7206 (estimated) No. of Female Employees: 2337 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H304-H315-H336-H410

[ Precautionary Statements ]:
P210-P261-P273-P301 + P310-P331-P501

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

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

[ Risk Phrases ]:
R11;R38;R50/53;R65;R67

[ Safety Phrases ]:
S9-S16-S29-S33-S60-S61-S62

[ RIDADR ]:
UN 1262 3/PG 2

[ WGK Germany ]:
1

[ RTECS ]:
SA3320000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,4,4-Trimethylpent-1-ene
Isobutane Residual Solvent Standard
Isobutylene
2-butene
1-Butene
tert-Octylamine
2,2,4-trimethyl-3-pentene
Pentane,2,2,4-trimethyl-4-nitro-
4-(2-tetrahydrofuryl)-butan-2-ol
1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE

DownStream

Isobutane Residual Solvent Standard
1,2,4,5-Tetramethylbenzene
1,2,3-Trimethylbenzene
Toluene
2,4-dimethylpentane
isoheptane
isopentane
Pentane, 3-methyl-
2,3-Dimethylbutane
2,2,3-trimethylbutane

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2,2,4-TRIMETHYLPENTANE GR
2,2,4-Trimethylpentane-d18
2,2,4-Trimethylpentane-1-ol
2,2,4-TRIMETHYLPENTANE ASTM
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2,2,4-trimethylpentane-1,1-diol
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