Basic information
- CAS
3943-91-7- Standard SMILES
CCOC(=O)c1cc(O)ccc1O- InChIKey
GCUPAENRSCPHBM-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- Ethyl 2,5-dihydroxybenzoate
- IUPAC
- ethyl 2,5-dihydroxybenzoate
- English name
- Ethyl 2 5-dihydroxybenzoate 97
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
Ethyl 2,5-dihydroxybenzoate3943-91-7EINECS 223-530-6DTXSID90192600RefChem:593488DTXCID90115091223-530-6ethyl gentisateBenzoic acid, 2,5-dihydroxy-, ethyl esterMFCD021140942,5-dihydroxybenzoic acid ethyl esterCHEMBL2333584
Show more names
dihydroxyethyl benzoateEthyl 2 5-dihydroxybenzoate 97Ethyl 2,5-dihydroxybenzoate 97%Benzoic acid,2,5-dihydroxy-, ethyl ester
EthylgentisateLYS94A6JYLethyl 25-DihydroxybenzoateEthyl2,5-dihydroxybenzoateGentisic acid, ethyl esterSCHEMBL39259mono ethoxycarbonyl hydroquinoneEthyl 2,5-dihydroxybenzoate #
Database identifiers
- CAS
3943-91-7- PubChem CID
- 77548
- DTXSID
DTXSID90192600- ChEMBL
CHEMBL2333584- UNII
- LYS94A6JYL
- EC Number
- 223-530-6
- Nikkaji
- J79.884C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 77 · 77-81 °C(lit.)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 20 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- form
- A crystalline solid
- InChI
- 1S/C9H10O4/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5,10-11H,2H2,1H3
- InChIKey
- GCUPAENRSCPHBM-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cc(O)ccc1O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 2,5-dihydroxybenzoate may be used for developing fourth generation acid dendrons.
General DescriptionEthyl 2,5-dihydroxybenzoate, also known as ethyl gentisate, is an aromatic ester. It can be synthesized from 2,5-dihydroxybenzoic acid by esterification process with absolute ethanol.
Suppliers37 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
重庆欣博曜生物科技有限公司19122915778 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
Related reactions
7 records
Compound notes
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