Basic information
- CAS
7507-34-8- Standard SMILES
Cc1cc(C)cc(OCCC(=O)O)c1- InChIKey
DKXUNJWAAUBSMR-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3-(3,5-Dimethylphenoxy)propanoic acid
- IUPAC
- 3-(3,5-dimethylphenoxy)propanoic acid
- English name
- Propanoic acid, 3-(3,5-dimethylphenoxy)-
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
3-(3,5-dimethylphenoxy)propanoic acid7507-34-8DTXSID00324910RefChem:491538DTXCID60276027102-557-6MFCD09046355NSC4079663-(3,5-Dimethyl-phenoxy)-propionic acidSCHEMBL3731595DKXUNJWAAUBSMR-UHFFFAOYSA-NHAA50734
Show more names
3-(3,5-dimethylphenoxy)propanoicacidAKOS000130473NSC-407966SY169195Propanoic acid, 3-(3,5-dimethylphenoxy)-EN300-30701G20040Z240085170
Database identifiers
- CAS
7507-34-8- PubChem CID
- 348583
- DTXSID
DTXSID00324910- EC Number
- 102-557-6
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 317 · 317.0±27.0 °C(Predicted)
- Density
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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