2,2,4-Trimethylpentane

Modify Date: 2024-01-02 10:07:06

2,2,4-Trimethylpentane Structure
2,2,4-Trimethylpentane structure
Common Name 2,2,4-Trimethylpentane
CAS Number 540-84-1 Molecular Weight 114.229
Density 0.7±0.1 g/cm3 Boiling Point 98.8±7.0 °C at 760 mmHg
Molecular Formula C8H18 Melting Point -107 °C
MSDS Chinese USA Flash Point -7.8±0.0 °C
Symbol GHS02 GHS07 GHS08 GHS09
GHS02, GHS07, GHS08, GHS09
Signal Word Danger

 Names

Name isooctane
Synonym More Synonyms

 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℃

 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
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

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 Synonyms

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
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