Basic information
- CAS
50827-57-1- Standard SMILES
COC1=CC(=O)C=C(CO)C1=O- InChIKey
PXEBZHWTQGYVCO-UHFFFAOYSA-N- Molecular formula
- C8H8O4
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.04225873
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-6-methoxybenzoquinone
- IUPAC
- 2-(hydroxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dione
- English name
- 2-Hydroxymethyl-6-methoxy-1,4-benzoquinone
- Molecular formula
- C8H8O4
- Molecular weight
- 168.15
Names & synonyms
50827-57-12-Hydroxymethyl-6-methoxy-1,4-benzoquinone2I1TAC45R02,5-Cyclohexadiene-1,4-dione, 2-(hydroxymethyl)-6-methoxy-2-Hydroxymethyl-6-methoxybenzoquinoneNSC 2712912-(hydroxymethyl)-6-methoxy-1,4-benzoquinoneNSC-271291DTXSID801988582-(HYDROXYMETHYL)-6-METHOXY-2,5-CYCLOHEXADIENE-1,4-DIONERefChem:473472DTXCID40121349
Show more names
Aids031156Aids-0311562-(Hydroxymethyl)-6-methoxy-p-benzoquinone
622-183-12-(hydroxymethyl)-6-methoxycyclohexa-2,5-diene-1,4-dioneNSC271291UNII-2I1TAC45R0SCHEMBL2404062CHEMBL4289608STL513125AKOS015912711
Database identifiers
- CAS
50827-57-1- PubChem CID
- 321309
- DTXSID
DTXSID80198858- ChEMBL
CHEMBL4289608- UNII
- 2I1TAC45R0
- EC Number
- 622-183-1
- Nikkaji
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 155 · 155-157 °C(lit.)
- FDA UNII
- 2 I1TAC45R0 · 2I1TAC45R0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [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
Loading…