Basic information
- CAS
17283-16-8- Standard SMILES
Cc1ccc(CC(=O)O)cc1C- InChIKey
OTTPBKINJOYJGW-UHFFFAOYSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 2-(3,4-Dimethylphenyl)acetic acid
- IUPAC
- 2-(3,4-dimethylphenyl)acetic acid
- English name
- 3,4-Dimethylphenylacetic Acid
- Molecular formula
- C10H12O2
- Molecular weight
- 164.2
Names & synonyms
2-(3,4-dimethylphenyl)acetic acidDTXSID40304433RefChem:454665DTXCID70255565848-736-93,4-Dimethylphenylacetic acid17283-16-83,4-Dimethylphenylaceticacid(3,4-Dimethylphenyl)acetic acid(3,4-Dimethyl-phenyl)-acetic acid3,4-dimethyphenylacetic acidMFCD02664684
Show more names
2-(3,4-Dimethylphenyl)2-(3,4-dimethylphenyl)acetate3,4-Dimethyl-Benzeneacetic Acid3,4-Dimethylphenylaceticacid,98%(3,4-dimethylphenyl)acetic acid(SALTDATA: FREE)
Benzeneacetic acid, 3,4-dimethyl-3,4-Dimethylbenzenacetic acid34-Dimethylphenylacetic AcidSCHEMBL969589SCHEMBL1259978OTTPBKINJOYJGW-UHFFFAOYSA-NHMS1757O22(3,4-Dimethylphenyl)acetic acid #
Database identifiers
- CAS
17283-16-8- PubChem CID
- 296013
- DTXSID
DTXSID40304433- EC Number
- 848-736-9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 93.5 · 93.5-94.5 °C
- Boiling point
- 297.3 · 297.3±9.0 °C(Predicted)
- Density
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.4 · 4.40±0.10(Predicted)
- form
- Solid
- Appearance
- White to off-white Solid
- Water Solubility
- Slightly soluble in water.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2916399090 · 2916399090
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
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3,4-Dimethylphenylacetic acid, is is used as an intermediate in organic synthesis. It is also used as a fine chemical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers40 total
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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