Home > Compound List > Compound details
760-20-3 molecular structure
click picture or here to close

3-methylpent-1-ene

ChemBase ID: 110741
Molecular Formular: C6H12
Molecular Mass: 84.15948
Monoisotopic Mass: 84.09390038
SMILES and InChIs

SMILES:
CCC(C)C=C
Canonical SMILES:
CC(C=C)CC
InChI:
InChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3
InChIKey:
LDTAOIUHUHHCMU-UHFFFAOYSA-N

Cite this record

CBID:110741 http://www.chembase.cn/molecule-110741.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methylpent-1-ene
IUPAC Traditional name
3-methyl-1-pentene
Synonyms
3-METHYL-1-PENTENE
3-Methyl-1-pentene
3-甲基-1-戊烯
CAS Number
760-20-3
EC Number
212-076-4
MDL Number
MFCD00009339
Beilstein Number
1719110
PubChem SID
24885819
24847013
162088967
PubChem CID
12969

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6696002  LogD (pH = 7.4) 2.6696002 
Log P 2.6696002  Molar Refractivity 29.3999 cm3
Polarizability 11.603333 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
-154 °C(lit.) expand Show data source
-154°C expand Show data source
Boiling Point
53-54°C expand Show data source
54 °C(lit.) expand Show data source
Flash Point
-16.6 °F expand Show data source
-27 °C expand Show data source
-33°C(-27°F) expand Show data source
Density
0.67 g/mL at 25 °C(lit.) expand Show data source
0.670 expand Show data source
Refractive Index
1.3870 expand Show data source
n20/D 1.384 expand Show data source
n20/D 1.384(lit.) expand Show data source
Vapor Pressure
436 mmHg ( 37.7 °C) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3295 expand Show data source
UN3295 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
11-65 expand Show data source
Safety Statements
9-16-29-33-62 expand Show data source
9-16-33-62 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H304 expand Show data source
GHS Precautionary statements
P210-P243-P301+P330+P331-P315 expand Show data source
P210-P301 + P310-P331 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) 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
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3CH2CH(CH3)CH=CH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216134 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 111147 external link
Packaging
10 g in ampule

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle