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623-70-1 molecular structure
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ethyl but-2-enoate

ChemBase ID: 109683
Molecular Formular: C6H10O2
Molecular Mass: 114.1424
Monoisotopic Mass: 114.06807956
SMILES and InChIs

SMILES:
CCOC(=O)/C=C/C
Canonical SMILES:
CCOC(=O)/C=C/C
InChI:
InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3
InChIKey:
ZFDIRQKJPRINOQ-UHFFFAOYSA-N

Cite this record

CBID:109683 http://www.chembase.cn/molecule-109683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl but-2-enoate
ethyl (2E)-but-2-enoate
IUPAC Traditional name
2-butenoic acid, ethyl ester
Synonyms
ETHYL Trans-2-BUTENOATE
(E)-ethyl but-2-enoate
Ethyl crotonate
Ethyl trans-2-butenoate
Ethyl crotronate
Ethyl trans-2-butenoate
ETHYL CROTONATE
Crotonic acid ethyl ester
Ethyl 2-butenoate
巴豆酸乙酯
巴豆酸乙酯
反式-2-丁烯酸乙酯
CAS Number
623-70-1
EC Number
210-808-7
MDL Number
MFCD00009289
Beilstein Number
635834
PubChem SID
24848484
24850227
24856937
162095272
24901729
PubChem CID
429065
FEMA ID
3486
Council of Europe Number
2244
Flavis Number
9.248

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6556176  LogD (pH = 7.4) 1.6556176 
Log P 1.6556176  Molar Refractivity 32.4826 cm3
Polarizability 12.307829 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
141-143°C expand Show data source
142-143 °C(lit.) expand Show data source
Flash Point
2 °C expand Show data source
2°C(36°F) expand Show data source
35.6 °F expand Show data source
Density
0.918 expand Show data source
0.918 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.424(lit.) expand Show data source
n20/D 1.425 expand Show data source
Vapor Density
3.9 (vs air) expand Show data source
Organoleptic
ethereal; wine-like expand Show data source
RTECS
GQ3500000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1862 expand Show data source
UN1862 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
Download expand Show data source
Download expand Show data source
German water hazard class
2 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
11-34 expand Show data source
R:36 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
9-16-20-26-33-36/37/39-45-60 expand Show data source
S:26 expand Show data source
TSCA Listed
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
H225-H314 expand Show data source
H225-H314-H318-H303 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P210-P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1862 3/PG 2 expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
FDA 21 CFR (172.515) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥95.0% (GC) expand Show data source
≥96% expand Show data source
96% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3CH=CHCOOC2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05215914 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05212189 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - W348600 external link
Packaging
1 kg in glass bottle
1 sample in glass bottle
4, 10, 20 kg in comp drum
Sigma Aldrich - 140996 external link
Packaging
100 mL in glass bottle
Sigma Aldrich - 167940 external link
Packaging
50, 250 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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