118451
3,3-Dimethylpentane
99%
Synonym(s):
3,3-Dimethylpentane
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About This Item
Linear Formula:
CH3CH2C(CH3)2CH2CH3
CAS Number:
Molecular Weight:
100.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
209-230-8
Beilstein/REAXYS Number:
1696854
MDL number:
Assay:
99%
InChI key
AEXMKKGTQYQZCS-UHFFFAOYSA-N
InChI
1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
SMILES string
CCC(C)(C)CC
vapor pressure
2.77 psi ( 37.7 °C)
assay
99%
expl. lim.
~7 %
Quality Level
bp
86 °C (lit.)
mp
−135 °C (lit.)
density
0.693 g/mL at 25 °C (lit.)
Related Categories
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.
signalword
Danger
hcodes
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
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
Regulatory Information
危险化学品
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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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