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118451

Sigma-Aldrich

3,3-Dimethylpentane

99%

Synonym(s):

3,3-Dimethylpentane

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About This Item

Linear Formula:
CH3CH2C(CH3)2CH2CH3
CAS Number:
562-49-2
Molecular Weight:
100.20
Beilstein/REAXYS Number:
1696854
EC Number:
209-230-8
MDL number:
MFCD00009322
UNSPSC Code:
12352100
PubChem Substance ID:
24847373
NACRES:
NA.22

vapor pressure

2.77 psi ( 37.7 °C)

assay

99%

expl. lim.

~7 %

refractive index

n20/D 1.392 (lit.)

bp

86 °C (lit.)

mp

−135 °C (lit.)

density

0.693 g/mL at 25 °C (lit.)

SMILES string

CCC(C)(C)CC

InChI

1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3

InChI key

AEXMKKGTQYQZCS-UHFFFAOYSA-N

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General description

3,3-Dimethylpentane isomerizes via a methyl shift mechanism on oxygen-exposed tungsten carbides.

Application

3,3-Dimethylpentane was used in the development and evaluation of the epiocular-eye irritation test.

accessory

Product No.
Description
Pricing

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

19.4 °F - closed cup

flash_point_c

-7 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Reactions of neopentane, methylcyclohexane, and 3, 3-dimethylpentane on tungsten carbides: The effect of surface oxygen on reaction pathways.
Ribeiro FH, et al.
J. Catal., 130(1), 86-105 (1991)
Yulia Kaluzhny et al.
Alternatives to laboratory animals : ATLA, 39(4), 339-364 (2011-09-29)
The recently implemented 7th Amendment to the EU Cosmetics Directive and the EU REACH legislation have heightened the need for in vitro ocular test methods. To address this need, the EpiOcular(TM) eye irritation test (EpiOcular-EIT), which utilises the normal (non-transformed)

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