Basic information
- CAS
37934-89-7- Standard SMILES
COc1cc(C)c(C(=O)O)c(C)c1- InChIKey
GFWRERVOFRPXKB-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4-Methoxy-2,6-dimethylbenzoic acid
- IUPAC
- 4-methoxy-2,6-dimethylbenzoic acid
- English name
- 2,6-Dimethyl-4-methoxybenzoic acid
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
37934-89-74-methoxy-2,6-dimethylbenzoic acidRefChem:2937682,6-DIMETHYL-4-METHOXYBENZOIC ACIDMFCD01194287Benzoic acid, 4-methoxy-2,6-dimethyl-2,6-Dimethyl-4-methoxybenzoicacidAB-131/25126040SCHEMBL484746GFWRERVOFRPXKB-UHFFFAOYSA-NDTXSID301297647CL9112
Show more names
SBB017704AKOS004907092DA-39239DS-12314SY104048CS-0094401Benzoic acid, 4-?methoxy-?2,?6-?dimethyl-EN300-108416
Database identifiers
- CAS
37934-89-7- PubChem CID
- 816764
- DTXSID
DTXSID301297647- EC Number
- 978-210-5
- Nikkaji
- J3.552.673K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 144.5 · 144.5-145 °C
- Boiling point
- 310 · 310.0±37.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.98 · 3.98±0.37(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2918999090 · 2918999090
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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