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Merck
CN

59045

2,2,4-三甲基戊烷

puriss. p.a., ACS reagent, ≥99.5% (GC)

别名:

异辛烷

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线性分子式:
(CH3)2CHCH2C(CH3)3
化学文摘社编号:
540-84-1
分子量:
114.23
UNSPSC Code:
12352300
NACRES:
NA.21
PubChem Substance ID:
329758564
EC Number:
208-759-1
Beilstein/REAXYS Number:
1696876
MDL number:
MFCD00008943
Assay:
≥99.5% (GC)
Technique(s):
GC/GC: suitable
Vapor pressure:
41 mmHg ( 21 °C)

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InChI key

NHTMVDHEPJAVLT-UHFFFAOYSA-N

InChI

1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3

SMILES string

CC(C)CC(C)(C)C

grade

ACS reagent, puriss. p.a.

vapor density

3.9 (vs air)

vapor pressure

41 mmHg ( 21 °C)

assay

≥99.5% (GC)

form

liquid

autoignition temp.

745 °F

expl. lim.

6 %

technique(s)

GC/GC: suitable

impurities

≤0.002% free acid (as CH3COOH), ≤0.005% sulfur compounds (as S)

evapn. residue

≤0.001%

refractive index

n20/D 1.391

mp

−107 °C (lit.)

density

0.692 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 mg/kg, Ba: ≤0.1 mg/kg, Bi: ≤0.1 mg/kg, Ca: ≤0.5 mg/kg, Cd: ≤0.05 mg/kg, Co: ≤0.02 mg/kg, Cr: ≤0.02 mg/kg, Cu: ≤0.02 mg/kg, Fe: ≤0.1 mg/kg, K: ≤0.5 mg/kg, Li: ≤0.1 mg/kg, Mg: ≤0.1 mg/kg, Mn: ≤0.02 mg/kg, Mo: ≤0.1 mg/kg, Na: ≤0.5 mg/kg, Ni: ≤0.02 mg/kg, Pb: ≤0.1 mg/kg, Sr: ≤0.1 mg/kg, Zn: ≤0.1 mg/kg

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General description

2,2,4-Trimethylpentane (TMP, isooctane) is a saturated, branched hydrocarbon. It has been reported to be nephrotoxic to male rats. Density and viscosity of TMP at various temperatures (198K-348K) and pressures (100MPa) has been evaluated. It has been identified as nephrotoxicity inducing component in unleaded gasoline. Single-photon absorption spectra of its pure liquid form under vacuum ultraviolet excitation have been investigated. It is a reference standard employed for the octane rating system of gasoline and has been assigned octane rating of 100.6

Application

2,2,4-Trimethylpentane (TMP, isooctane) may be used to evaluate various physical properties (densities, viscosities, refractive indexes and surface tensions) of the binary mixtures of TMP and cyclohexane.

signalword

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Central nervous system

存储类别

3 - Flammable liquids

wgk

WGK 2

flash_point_f

10.4 °F - closed cup

flash_point_c

-12 °C - closed cup

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
BCCH0894
BCCG3520
BCCF3032
BCCD0446
BCBZ9809

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Single-photon absorption of liquid cyclohexane, 2, 2, 4 trimethylpentane and tetramethylsilane in the vacuum ultraviolet.
Jung JM and Gress H.
Chemical Physics Letters, 377(5), 495-500 (2003)
B G Short et al.
Toxicologic pathology, 14(2), 194-203 (1986-01-01)
Unleaded gasoline causes acute and chronic nephrotoxicity and renal tumors in male rats, but not female rats or mice of either sex. An active nephrotoxic component of unleaded gasoline has been identified as 2,2,4-trimethylpentane (TMP). The first objective of this
Physicochemical properties of liquid mixtures. 1. Viscosity, density, surface tension and refractive index of cyclohexane+ 2, 2, 4-trimethylpentane binary liquid systems from 25 C to 50 ?C.
Gomez-Diaz D, et al.
Journal of Chemical and Engineering Data, 46(3), 720-724 (2001)
E A Lock et al.
Toxicology and applied pharmacology, 91(2), 182-192 (1987-11-01)
Trimethylpentane (TMP) produces nephrotoxicity in male but not in female rats. The toxicity is characterized by an increase in protein droplets in proximal convoluted tubular cells and an increase in the renal concentration of the male-rat-specific protein alpha 2u-globulin. Subcellular
Density and viscosity measurements of 2, 2, 4-trimethylpentane (isooctane) from 198 K to 348 K and up to 100 MPa.
Padua AAH, et al.
Journal of Chemical and Engineering Data, 41(6), 1488-1494 (1996)
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