Basic information
- CAS
25140-95-8- Standard SMILES
Cc1cccc(OC(C)C(=O)O)c1- InChIKey
NVECNFGARHPBLU-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 2-(3-Methylphenoxy)propanoic acid
- IUPAC
- 2-(3-methylphenoxy)propanoic acid
- English name
- 2-(3-METHYLPHENOXY)PROPANOIC ACID
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
2-(3-Methylphenoxy)propanoic acid25140-95-8DTXSID50948004RefChem:455789DTXCID901376251854-870-92-(m-Tolyloxy)propanoic acidPropanoic acid, 2-(3-methylphenoxy)-2-(m-Tolyloxy)propionic acidPropionic acid, 2-(m-tolyloxy)-MFCD01695445alpha-(3-Methylphenoxy)propanoic acid
Show more names
2-(3-methylphenoxy)propanoic acid(SALTDATA: FREE)
.alpha.-(3-Methylphenoxy)propanoic acidBRN 25588512-(3-Methylphenoxy)propionic acidPropanoic acid,2-(3-methylphenoxy)-Enamine_0056473-06-00-01309 (Beilstein Handbook Reference)SCHEMBL8406844SCHEMBL30360591
Database identifiers
- CAS
25140-95-8- PubChem CID
- 212845
- DTXSID
DTXSID50948004- EC Number
- 854-870-9
- Nikkaji
- J632.850D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 100 · 100-102 °C
- Boiling point
- 305.3 · 305.3±17.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.24 · 3.24±0.10(Predicted)
- Appearance
- White to off-white Solid
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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