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108-08-7 molecular structure
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2,4-dimethylpentane

ChemBase ID: 107332
Molecular Formular: C7H16
Molecular Mass: 100.20194
Monoisotopic Mass: 100.12520051
SMILES and InChIs

SMILES:
CC(C)CC(C)C
Canonical SMILES:
CC(CC(C)C)C
InChI:
InChI=1S/C7H16/c1-6(2)5-7(3)4/h6-7H,5H2,1-4H3
InChIKey:
BZHMBWZPUJHVEE-UHFFFAOYSA-N

Cite this record

CBID:107332 http://www.chembase.cn/molecule-107332.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dimethylpentane
IUPAC Traditional name
2,4-dimethylpentane
Synonyms
2,4-DIMETHYLPENTANE
Diisopropylmethane
2,4-Dimethylpentane
2,4-二甲基戊烷
CAS Number
108-08-7
EC Number
203-548-0
MDL Number
MFCD00008945
Beilstein Number
1696855
PubChem SID
162093196
24893525
24865713
PubChem CID
7907

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2606075  LogD (pH = 7.4) 3.2606075 
Log P 3.2606075  Molar Refractivity 33.9044 cm3
Polarizability 13.67605 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-119°C expand Show data source
-123 °C(lit.) expand Show data source
ca -123°C expand Show data source
Boiling Point
79-80°C expand Show data source
80 °C(lit.) expand Show data source
81°C expand Show data source
Flash Point
-12°C(10°F) expand Show data source
19.4 °F expand Show data source
-7 °C expand Show data source
Density
0.670 expand Show data source
0.673 g/mL at 25 °C(lit.) expand Show data source
0.677 g/ml expand Show data source
Refractive Index
1.3820 expand Show data source
n20/D 1.381 expand Show data source
n20/D 1.381(lit.) expand Show data source
Vapor Pressure
3.29 psi ( 37.7 °C) expand Show data source
Vapor Density
3.48 (vs air) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3295 expand Show data source
UN1206 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11-38-50/53-65-67 expand Show data source
R:11-38-50/53-65-67 expand Show data source
Safety Statements
9-16-29-33-60-61-62 expand Show data source
S:9-16-29-33-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
Explode Limits
~7 % expand Show data source
GHS Hazard statements
H225-H304-H315-H336-H400 expand Show data source
H225-H304-H315-H336-H410 expand Show data source
H225-H304-H400-H410-H315-H336 expand Show data source
GHS Precautionary statements
P210-P241-P301+P310-P303+P361+P353-P405-P501A expand Show data source
P210-P261-P273-P301 + P310-P331 expand Show data source
P210-P261-P273-P301 + P310-P331-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3295 3/PG 2 expand Show data source
Purity
≥99.0% (GC) expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
(CH3)2CHCH2CH(CH3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05203358 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D173401 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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