2-(2-Methylphenoxy)acetic acid
Basic information
- CAS
1878-49-5- Standard SMILES
Cc1ccccc1OCC(=O)O- InChIKey
QJVXBRUGKLCUMY-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 2-(2-Methylphenoxy)acetic acid
- IUPAC
- 2-(2-methylphenoxy)acetic acid
- English name
- (2-Methylphenoxy)acetic acid
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
(2-methylphenoxy)acetic acid1878-49-52-(2-methylphenoxy)acetic acid2-(o-Tolyloxy)acetic acid2-Methylphenoxyacetic acid(o-Tolyloxy)acetic acido-Tolyloxyacetic acidAcetic acid, (2-methylphenoxy)-Acetic acid, (o-tolyloxy)-Acetic acid, 2-(2-methylphenoxy)-Acide o-methylphenoxyacetiqueO-CRESOLGLYCOLIC ACID
Show more names
(2-methylphenoxy)aceticAKOS BBB/207AKOS B013804AKOS AU36-M59AKOS BBS-00007680o-Toloxyacetic acidIFLAB-BB F1924-0028
Acide o-methylphenoxyacetique [French]DTXSID9041441o-CRESOXYACETIC ACIDNSC 5293EINECS 217-517-4O-CRESYLOXYACETIC ACIDBRN 1943465PXO85N85G3
Database identifiers
- CAS
1878-49-5、67649-70-1- PubChem CID
- 74651
- DTXSID
DTXSID9041441- ChEMBL
CHEMBL3182758- UNII
- PXO85N85G3
- EC Number
- 217-517-4
- Nikkaji
- J59.940I
Properties
Computed structural properties
- XLogP
- 2
- 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
LogP1.96
Physicochemical properties
- Melting point
- 155 · 155-157 °C(lit.)
- Boiling point
- 150 °C · >150 °C
- Density
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 1 · pK1:3.227 (25°C)
- color
- White to Off-White
- BRN
- 1943465 · 1943465
- InChI
- 1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChIKey
- QJVXBRUGKLCUMY-UHFFFAOYSA-N
- SMILES
- Cc1ccccc1OCC(O)=O
- CAS DataBase Reference
- 1878 · 1878-49-5(CAS DataBase Reference)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- AJ7573000
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Useso-Cresolglycolic Acid can be used to regulate plant growth.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
23 records
Compound notes
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