Acetic acid, (3-methylphenoxy)-
Basic information
- CAS
1643-15-8- Standard SMILES
Cc1cccc(OCC(=O)O)c1- InChIKey
VZECTCSEONQIPP-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- Acetic acid, (3-methylphenoxy)-
- IUPAC
- 2-(3-methylphenoxy)acetic acid
- English name
- 3-Methylphenoxyacetic acid
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
(3-Methylphenoxy)acetic acidAcetic acid, (3-methylphenoxy)-m-Methylphenoxyacetic acidAcetic acid, (m-tolyloxy)-EINECS 216-698-7NSC 35913BRN 20475724-06-00-02051 (Beilstein Handbook Reference)RefChem:551994216-698-71643-15-83-Methylphenoxyacetic acid
Show more names
AKOS BBB/206AKOS BC-26942-(m-Tolyloxy)ASISCHEM B51635m-Toloxyacetic acidM-METHYLPHENOXYACETIC(m-tolyloxy)-aceticaci
2-(3-methylphenoxy)acetic acid2-(m-Tolyloxy)acetic acid2-(3-methylphenoxy)-Acetic acidAcetic acid, 2-(3-methylphenoxy)-MFCD00014358m-Tolyloxy-acetic acidm-CRESOXYACETIC ACID3-methylphenoxy acetic acid
Database identifiers
- CAS
1643-15-8- PubChem CID
- 74235
- DTXSID
DTXSID4075110- ChEMBL
CHEMBL3247406- UNII
- J5FC5LP6MM
- EC Number
- 216-698-7
- Nikkaji
- J195.278A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
LogP1.88
Physicochemical properties
- Melting point
- 102 · 102-103 °C
- Boiling point
- 300 · 300.0±17.0 °C(Predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1 · pK1:3.203 (25°C)
- Appearance
- White to off-white Solid
- Water Solubility
- 4810 mg/L · Soluble in water. 4810 mg/L at 25°C
- BRN
- 2047572 · 2047572
- CAS DataBase Reference
- 1643 · 1643-15-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 3 · 3-Methylphenoxyacetic acid (1643-15-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
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 (88.9%): 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)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (88.9%)
Safety data
- rtecs
- AI9316500
- hs_code
- 29189990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2-(3-Methylphenoxy)acetic Acid can be used to control root parasitic weeds.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
5 records
Compound notes
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