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109-68-2 molecular structure
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pent-2-ene

ChemBase ID: 92110
Molecular Formular: C5H10
Molecular Mass: 70.1329
Monoisotopic Mass: 70.07825032
SMILES and InChIs

SMILES:
C/C=C/CC
Canonical SMILES:
CC/C=C/C
InChI:
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3
InChIKey:
QMMOXUPEWRXHJS-UHFFFAOYSA-N

Cite this record

CBID:92110 http://www.chembase.cn/molecule-92110.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pent-2-ene
(2E)-pent-2-ene
IUPAC Traditional name
2-pentene
trans-2-pentene
Synonyms
2-Pentene
2-Pentene, cis + trans
Pent-2-ene
trans-2-Pentene
2-戊烯
2-戊烯,顺式+反式
反-2-戊烯
反式-2-戊烯
CAS Number
109-68-2
646-04-8
EC Number
203-695-0
211-461-4
MDL Number
MFCD00009384
Beilstein Number
1718795
969151
Merck Index
147123
PubChem SID
24847019
162078808
PubChem CID
5326161

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3246477  LogD (pH = 7.4) 2.3246477 
Log P 2.3246477  Molar Refractivity 25.9238 cm3
Polarizability 9.757488 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
-136°C expand Show data source
-140 °C(lit.) expand Show data source
Boiling Point
36-37 °C(lit.) expand Show data source
36-37°C expand Show data source
36-38°C expand Show data source
37 °C(lit.) expand Show data source
Flash Point
-.4 °F expand Show data source
-18 °C expand Show data source
-45 °C expand Show data source
-45°C(-49°F) expand Show data source
-49 °F expand Show data source
Density
0.647 g/mL at 20 °C expand Show data source
0.649 expand Show data source
0.649 g/mL at 25 °C(lit.) expand Show data source
0.650 expand Show data source
0.651 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.3790 expand Show data source
1.38 expand Show data source
n20/D 1.379 expand Show data source
n20/D 1.379(lit.) expand Show data source
n20/D 1.381 expand Show data source
Vapor Pressure
8.17 psi ( 20 °C) expand Show data source
RTECS
SB2184500 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
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
11-36/37/38-65 expand Show data source
11-65 expand Show data source
Safety Statements
16-23-36-62 expand Show data source
3-9-16-26-29-33-62 expand Show data source
9-16-26-29-33-36-62 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
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H224-H304-H315-H319-H335 expand Show data source
H225-H304 expand Show data source
H225-H304-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P301+P310-P303+P361+P353-P405-P501A expand Show data source
P210-P261-P301 + P310-P305 + P351 + P338-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
Storage Temperature
2-8°C expand Show data source
Purity
≥98.5% (GC) expand Show data source
≥99.0% (GC) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
puriss. expand Show data source
purum expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Linear Formula
C2H5CH=CHCH3 expand Show data source
CH3CH2CH=CHCH3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR8524 external link
Mixture of cis/trans isomers
Sigma Aldrich - 111260 external link
Packaging
1, 5, 10 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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