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2980-71-4 molecular structure
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2-methylnon-1-ene

ChemBase ID: 73733
Molecular Formular: C10H20
Molecular Mass: 140.2658
Monoisotopic Mass: 140.15650064
SMILES and InChIs

SMILES:
C=C(CCCCCCC)C
Canonical SMILES:
CCCCCCCC(=C)C
InChI:
InChI=1S/C10H20/c1-4-5-6-7-8-9-10(2)3/h2,4-9H2,1,3H3
InChIKey:
YLZQHQUVNZVGOK-UHFFFAOYSA-N

Cite this record

CBID:73733 http://www.chembase.cn/molecule-73733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylnon-1-ene
IUPAC Traditional name
2-methylnon-1-ene
Synonyms
2-Methyl-1-nonene
2-Methylnon-1-ene
2-甲基-1-壬烯
CAS Number
2980-71-4
MDL Number
MFCD00027320
PubChem SID
24847902
162038652
PubChem CID
137784

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 137784 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.4042172  LogD (pH = 7.4) 4.4042172 
Log P 4.4042172  Molar Refractivity 47.5373 cm3
Polarizability 18.989107 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)
Boiling Point
100 °C/68 mmHg(lit.) expand Show data source
Flash Point
114.8 °F expand Show data source
46 °C expand Show data source
Density
0.745 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.424(lit.) expand Show data source
Storage Warning
Flammable expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
1993 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
10-41 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H318 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338 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 1993 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Linear Formula
CH3(CH2)5CH2C(CH3)=CH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 129410 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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