2-Methoxy-5-methylbenzoic acid

HCID 520167
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Basic information

CAS
25045-36-7
Standard SMILES
COc1ccc(C)cc1C(=O)O
InChIKey
QEFQGRZFYWPDSU-UHFFFAOYSA-N
Molecular formula
C9H10O3
Average molar mass
166.17 g/mol
Monoisotopic mass
166.06299418

Names & identifiers

Preferred name
2-Methoxy-5-methylbenzoic acid
IUPAC
2-methoxy-5-methylbenzoic acid
English name
2-Methoxy-5-methylbenzoic acid
Molecular formula
C9H10O3
Molecular weight
166.18

Names & synonyms

2-Methoxy-5-methylbenzoic acid25045-36-7DTXSID30334269RefChem:87852DTXCID40285359626-301-2QEFQGRZFYWPDSU-UHFFFAOYSA-NBenzoic acid, 2-methoxy-5-methyl-MFCD000458492-Methoxy-5-MethylbenzoicAcidSCHEMBL919542-Methoxy-5-methyl-benzoic acid
Show more names
2-METHOXY-5-METHYLBENXOIC ACIDMethoxymethylbenzoicacid 25---2-Methoxy-5-methylbenzoic acid 97%
5-methyl-2-(methyloxy)benzoic acidCK1068CS-W007943SY031618TS-02232EN300-13954Z946013712-Methoxy-5-methyl

Database identifiers

CAS
25045-36-7
PubChem CID
520167
DTXSID
DTXSID30334269
EC Number
626-301-2
Nikkaji
J1.399.534F

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
68 · 68-72 °C (lit.)
Boiling point
295.5 · 295.5±20.0 °C(Predicted)
Density
1.168 · 1.168±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
solid
pka
4.16 · 4.16±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
2
hs_code
2918999090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Upstream & downstream products

Suppliers73 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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CAS 25045-36-7 2-Methoxy-5-methylbenzoic acid (HCID 520167)｜Huagongshe