Basic information
- CAS
13333-81-8- Standard SMILES
Cc1cc(C)c(OCC(=O)O)c(C)c1- InChIKey
TVYZUFZJRKBXTB-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.09429431
Names & identifiers
- Preferred name
- 2-(2,4,6-Trimethylphenoxy)acetic acid
- IUPAC
- 2-(2,4,6-trimethylphenoxy)acetic acid
- English name
- (2,4,6-TRIMETHYL-PHENOXY)-ACETIC ACID
- Molecular formula
- C11H14O3
- Molecular weight
- 194.23
Names & synonyms
13333-81-82-(2,4,6-trimethylphenoxy)acetic AcidRefChem:451871850-134-6(2,4,6-Trimethyl-phenoxy)-acetic acid2-(Mesityloxy)acetic acidAcetic acid, 2-(2,4,6-trimethylphenoxy)-MFCD00224887Mesityloxyacetic acid(Mesityloxy)acetic acidAcetic acid, (2,4,6-trimethylphenoxy)-2-(Mesityloxy)aceticacid
Show more names
orb2941065SCHEMBL2059355DTXSID10357451TVYZUFZJRKBXTB-UHFFFAOYSA-NTXB-00050(2,4,6-Trimethylphenoxy)acetic acidAKOS001043822SY132450
Database identifiers
- CAS
13333-81-8- PubChem CID
- 853573
- DTXSID
DTXSID10357451- EC Number
- 850-134-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- form
- Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 3 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2,4,6-Trimethylphenoxyacetic Acid is a compound used in novel techniques for the synthesis of monofluoromethoxy arenes.
Suppliers12 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]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
山东碳氢生物化工有限公司13060081947 13060081947 · [email protected]
Related reactions
2 records
Compound notes
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