Basic information
- CAS
5459-04-1- Standard SMILES
CC(=O)CC(=O)OCCOC(=O)CC(C)=O- InChIKey
SJCUPJATWUWGAV-UHFFFAOYSA-N- Molecular formula
- C10H14O6
- Average molar mass
- 230.21 g/mol
- Monoisotopic mass
- 230.07903816
Names & identifiers
- Preferred name
- Ethylene glycol diacetoacetate
- IUPAC
- 2-(3-oxobutanoyloxy)ethyl 3-oxobutanoate
- English name
- 2-hydroxyethylacetoacetate
- Molecular formula
- C10H14O6
- Molecular weight
- 230.21
Names & synonyms
5459-04-1Ethylene glycol diacetoacetate40IGR8Y7QWNSC-24317UNII-40IGR8Y7QWButanoic acid, 3-oxo-, 1,2-ethanediyl esterDTXSID00203019ETHYLENE BIS(ACETOACETATE)EINECS 226-724-9NSC 24317ACETOACETIC ACID, ETHYLENE ESTERAI3-06367
Show more names
Ethylendiacetoacetat2-hydroxyethylacetoacetateethane-1,2-diylbis(3-oxobutanoate)Bis(3-oxobutyric acid)1,2-ethanediyl ester3-ketobutyric acid 2-acetoacetyloxyethyl ester3-Oxobutanoic Acid 2-(1,3-Dioxobutoxy)Ethyl Ester
EC 226-724-9RefChem:139134DTXCID50125510226-724-9ethane-1,2-diyl bis(3-oxobutanoate)Ethylene diacetoacetate2-(3-oxobutanoyloxy)ethyl 3-oxobutanoateMFCD00043818
Database identifiers
- CAS
5459-04-1- PubChem CID
- 79566
- DTXSID
DTXSID00203019- UNII
- 40IGR8Y7QW
- EC Number
- 226-724-9
- Nikkaji
- J210.517I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Density
- 1.191 g/cm3 · 1.191g/cm3 at 20℃
- vapor pressure
- 0.004 · 0.004-0.27Pa at 20-50℃
- form
- Liquid
- LogP
- -0.9 at · -0.9 at 23℃ and pH7
- FDA UNII
- 40 IGR8Y7QW · 40IGR8Y7QW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 5.4% (2 of 37) of reports.
Warning
H319 (94.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Butanoic acid, 3-oxo-, 1,2-ethanediyl ester
REACH registered substance: Ethylene diacetoacetate (EC: 226-724-9)
Hazard Classes and CategoriesEye Irrit. 2A (94.6%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers10 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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