Basic information
- CAS
74268-51-2- Standard SMILES
CC=C=CC(=O)OCC- InChIKey
JGEKOPSQLCPNGA-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Ethyl penta-2,3-dienoate
- IUPAC
- ethyl penta-2,3-dienoate
- English name
- Ethyl-2,3-pentadienoate
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
ethyl penta-2,3-dienoateRefChem:596366686-926-1Ethyl 2,3-pentadienoate74268-51-22,3-Pentadienoic acid,ethyl ester2,3-Pentadienoic acid ethyl ester2,3-Pentadienoic acid-, ethyl esterstarbld0014084Ethyl 2,3-pentadienoate #SCHEMBL307663SCHEMBL4340502
Show more names
Ethyl-2,3-pentadienoateEthyl 2,3-pentadienoate technical grade, >85%
DTXSID90336421JGEKOPSQLCPNGA-UHFFFAOYSA-Npenta-2,3-dienoic acid ethyl esterAKOS006371277EN300-7463694Ethyl 2,3-pentadienoate, technical grade, >85%
Database identifiers
- CAS
74268-51-2- PubChem CID
- 533696
- DTXSID
DTXSID90336421- EC Number
- 686-926-1
- Nikkaji
- J2.904.029J、J2.904.030C、J563.546B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 75 °C · 75 °C(Press: 14 Torr)
- Density
- 0.902 · 0.902±0.06 g/cm3(Predicted)
- refractive index
- 20 · n20/D1.464
- Flash point
- 51 ℃ · 51℃
- storage temp.
- -20 °C · -20°C
- form
- liquid
- InChI
- 1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h3,6H,4H2,1-2H3
- InChIKey
- JGEKOPSQLCPNGA-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C=C=CC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H319
- Precautionary statements
- 210 · P210-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 1993C 3 / PGIII
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226-H319
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3
- Precautionary statements
- P210-P305+P351+P338
Chemistry & industry
Suppliers4 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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