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24342-03-8 molecular structure
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2-methylpropyl but-3-enoate

ChemBase ID: 248802
Molecular Formular: C8H14O2
Molecular Mass: 142.19556
Monoisotopic Mass: 142.09937969
SMILES and InChIs

SMILES:
C(=O)(OCC(C)C)CC=C
Canonical SMILES:
C=CCC(=O)OCC(C)C
InChI:
InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKey:
RLCJPGSPFOFWPR-UHFFFAOYSA-N

Cite this record

CBID:248802 http://www.chembase.cn/molecule-248802.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methylpropyl but-3-enoate
IUPAC Traditional name
2-methylpropyl but-3-enoate
Synonyms
2-methylpropyl but-3-enoate
3-Butenoic acid isobutyl ester
Isobutyl 3-butenoate
Isobutyl vinylacetate
乙烯基乙酸异丁酯
CAS Number
24342-03-8
EC Number
401-170-2
MDL Number
MFCD00080434
Beilstein Number
4957274
PubChem SID
164304712
PubChem CID
528715

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 528715 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.007968  LogD (pH = 7.4) 2.007968 
Log P 2.007968  Molar Refractivity 40.429 cm3
Polarizability 15.986376 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
50-51°C/15mm expand Show data source
Flash Point
47°C(116°F) expand Show data source
Density
0.890 expand Show data source
Refractive Index
1.4165 expand Show data source
Hydrophobicity(logP)
2.413 expand Show data source
UN Number
UN3272 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
III expand Show data source
Risk Statements
10 expand Show data source
Safety Statements
2 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Hazard statements
H226 expand Show data source
GHS Precautionary statements
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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