Basic information
- CAS
3967-57-5- Standard SMILES
CCOC(=O)CCc1ccc(O)c(O)c1- InChIKey
MHJZKZOOQLSKTN-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- Ethyl 3-(3,4-dihydroxyphenyl)propionate
- IUPAC
- ethyl 3-(3,4-dihydroxyphenyl)propanoate
- English name
- ETHYL HYDROCAFFEATE
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
3967-57-5Ethyl 3-(3,4-dihydroxyphenyl)propionateEINECS 223-585-6DTXSID00192772NSC 158568RefChem:594641DTXCID40115263223-585-6InChI=1/C11H14O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3,5,7,12-13H,2,4,6H2,1Hethyl 3-(3,4-dihydroxyphenyl)propanoateEthyl hydrocaffeateEthyl dihydrocaffeate
Show more names
NSC 619680LABOTEST-BB LT00452977Ethyl 3,4-dihydroxyhydrocinnamateETHYL B-(3,4-DIHYDROXYPHENYL)PROPIONATEETHYL BETA-(3,4-DIHYDROXYPHENYL)PROPIONATE
CHEMBL3093471Ethyl 3,4-dihydroxybenzenepropanoate34516-65-90XRSCHEMBL490911SCHEMBL30291871BDBM50062149NSC158568
Database identifiers
- CAS
3967-57-5- PubChem CID
- 77586
- DTXSID
DTXSID00192772- ChEMBL
CHEMBL3093471- EC Number
- 223-585-6
- Nikkaji
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 360 ℃ · 360℃
- Density
- 1.221 · 1.221
- Flash point
- 139 ℃ · 139℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302-H317
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302-H317
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers13 total
Apin Chemicals Limited (UK)[email protected]
Carbone Scientific CO., LTD[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
APIN-NP[email protected]
卡博森斯化学科技 (苏州) 有限公司+86 (512) 6260-5585 · [email protected]
LABOTEST-BB[email protected]
PFALTZ-BAUER[email protected]
PARAGOS[email protected]
盐城朗德化学医药有限公司—
先进技术工业有限公司[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
2 records
Compound notes
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