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2-Hydroxyethyl butyrate

HCID 77895
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4219-46-9
Standard SMILES
CCCC(=O)OCCO
InChIKey
GIOCILWWMFZESP-UHFFFAOYSA-N
Molecular formula
C6H12O3
Average molar mass
132.16 g/mol
Monoisotopic mass
132.07864424

Names & identifiers

Preferred name
2-Hydroxyethyl butyrate
IUPAC
2-hydroxyethyl butanoate
English name
2-hydroxyethyl butyrate
Molecular formula
C6H12O3
Molecular weight
132.16

Names & synonyms

2-Hydroxyethyl butyrate4219-46-92-hydroxyethyl butanoate2-hydroxyethylbutyrate2-oxyethyl butyrateEINECS 224-158-7AI3-11203SCHEMBL50506SCHEMBL2529046SCHEMBL8343153SCHEMBL11207249DTXSID00195006
Show more names
Ethylene glycol 1-butyrateEthylene glycol monobutyrateButyric acid 2-hydroxyethyl ester
NSC13524NSC67336Butanoic acid, 2-hydroxyethyl esterMFCD28360989NSC 13524NSC 67336NSC-13524NSC-67336

Database identifiers

CAS
4219-46-9
PubChem CID
77895
DTXSID
DTXSID00195006
EC Number
224-158-7
Nikkaji
J106.449E

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
9
Formal charge
0
Complexity
80.4

Physicochemical properties

storage temp.
Sealed in dry,Room Temperature

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Vinyl butyrateButyryl chlorideEthylene glycol

Downstream products

ETHYLENE GLYCOL DI-N-BUTYRATE

Suppliers14 total

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
南京佰瑞利康生物科技有限公司18168036974 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

8 records
New reaction record
HRID 323896 reaction equation
HRID 323896As productuspto-grants-2001_04
HRID 323906 reaction equation
HRID 323906As reactantuspto-grants-2001_04
HRID 495669 reaction equation
HRID 495669As productuspto-grants-2005_09
HRID 495673 reaction equation
HRID 495673As reactantuspto-grants-2005_09
HRID 1059069 reaction equation
HRID 1059069As productuspto-grants-2003_02
HRID 1237192 reaction equation
HRID 1237192As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1369173 reaction equation
HRID 1369173As productuspto-grants-2003_06
HRID 1369177 reaction equation
HRID 1369177As reactantuspto-grants-2003_06

Compound notes

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