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Ethyl 2,3-epoxybutyrate

HCID 29774
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
19780-35-9
Standard SMILES
CCOC(=O)C1OC1C
InChIKey
VYXHEFOZRVPJRK-UHFFFAOYSA-N
Molecular formula
C6H10O3
Average molar mass
130.14 g/mol
Monoisotopic mass
130.06299418

Names & identifiers

Preferred name
Ethyl 2,3-epoxybutyrate
IUPAC
ethyl 3-methyloxirane-2-carboxylate
English name
ETHYL (2R,3R)-2,3-EPOXYBUTYRATE
Molecular formula
C6H10O3
Molecular weight
130.14

Names & synonyms

Ethyl 2,3-epoxybutyrateethyl 2,3-epoxybutanoateDTXSID101031263RefChem:593461DTXCID40835272243-300-9ethyl 3-methyloxirane-2-carboxylate19780-35-9Ethyl (2R,3R)-2,3-epoxybutyrate2,3-Epoxybutyric acid, ethyl esterBUTYRIC ACID, 2,3-EPOXY-, ETHYL ESTEREthyl 3-methyl-2-oxiranecarboxylate
Show more names
2-Oxiranecarboxylic acid, 3-methyl-, ethyl esterEthyl (2R,3R)-2,3-epoxy-3-methylpropanoate, GC 96%Oxiranecarboxylic acid, 3-methyl-, ethyl ester (9CI)
Ethylester kyseliny 2,3-epoxymaselneEthyl-2,3-epoxybutyrate2,3-Epoxybutyric acid ethyl esterEINECS 243-300-9Rel-Ethyl (2R,3R)-3-methyloxirane-2-carboxylate3-Methyl-2-oxiranecarboxylic acid ethyl esterEthylester kyseliny 2,3-epoxymaselne [Czech]Ethyl 2,3-epoxy-butanoate

Database identifiers

CAS
19780-35-9
PubChem CID
29774
DTXSID
DTXSID101031263
EC Number
243-300-9
Nikkaji
J35.103B

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
121

Physicochemical properties

Boiling point
180.82 °C · 180.82°C (rough estimate)
Density
1.1066 · 1.1066 (rough estimate)
refractive index
1.473 · 1.4730 (estimate)
Symbol(GHS)
2 · GHS02,GHS07
Signal word
Warning
Hazard statements
226 · H226-H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501

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 · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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

Signal word
Warning
Symbol(GHS)
GHS02,GHS07
Hazard statements
H226-H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers7 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
上海昶尔医药科技有限公司15921595598;15921595598 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]

Related reactions

4 records
New reaction record
HRID 1386821 reaction equation
HRID 1386821As reactantuspto-grants-2001_07
HRID 1646143 reaction equation
HRID 1646143As reactantuspto-grants-1993_01
HRID 2311096 reaction equation
HRID 2311096As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2329667 reaction equation
HRID 2329667As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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