Basic information
- CAS
21150-12-9- Standard SMILES
COc1cccc(C(O)C(=O)O)c1- InChIKey
YTRUJRPALUALSN-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Overview
2-hydroxy-2-(3-methoxyphenyl)acetic acid is a member of methoxybenzenes.
Names & identifiers
- Preferred name
- 3-Methoxyphenylglycolic acid
- IUPAC
- 2-hydroxy-2-(3-methoxyphenyl)acetic acid
- English name
- (+/-)-m-Methoxymandelic acid
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
3-Methoxymandelic acid3-Methoxyphenylglycolic acidEINECS 244-243-2RefChem:503280244-243-221150-12-92-hydroxy-2-(3-methoxyphenyl)acetic acid(+/-)-m-Methoxymandelic acidHydroxy(3-methoxyphenyl)acetic aciddl-3-Methoxymandelic acidMFCD00004229m-Methoxymandelic acid
Show more names
Hydroxy-(3-methoxy-phenyl)-acetic acid(±)-m-Methoxymandelic acid(+/-)-3-methoxymandelic acidα-Hydroxy-3-methoxybenzeneacetic acid
Mandelic acid, m-methoxy-SCHEMBL503788DTXSID90943472CHEBI:190746AKOS005266137Hydroxy(3-methoxyphenyl)acetic acid #SB846662-hydroxy-2-(3-methoxyphenyl)aceticacid
Database identifiers
- CAS
21150-12-9- PubChem CID
- 89441
- DTXSID
DTXSID90943472- ChEBI
CHEBI:190746- EC Number
- 244-243-2
Properties
Computed structural properties
- XLogP
- 0.8
- 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
Experimental & physicochemical properties
LogP1.33
Physicochemical properties
- Melting point
- 58 · 58-60°C
- Boiling point
- 363.1 · 363.1±32.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers12 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Additional notes
DefinitionChEBI: 2-hydroxy-2-(3-methoxyphenyl)acetic acid is a member of methoxybenzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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