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Merck
CN

118451

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:
1696854
EC Number:
209-230-8
MDL number:
MFCD00009322
UNSPSC Code:
12352100
PubChem Substance ID:
24847373
NACRES:
NA.22

Key Documents

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vapor pressure

2.77 psi ( 37.7 °C)

Quality Level

100

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.

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

19.4 °F - closed cup

Flash Point(C)

-7 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCL4405
MKBS8763V
MKBH9962V
MKBF0092V
08923EE

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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)
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)

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