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Basic information
- CAS
7721-62-2- Standard SMILES
COc1cc(C)c(C=O)cc1OC- InChIKey
RMIZEUOAFVZZJG-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4,5-Dimethoxy-2-methylbenzaldehyde
- IUPAC
- 4,5-dimethoxy-2-methylbenzaldehyde
- English name
- 4,5-dimethoxy-2-methylbenzaldehyde
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
4,5-Dimethoxy-2-methylbenzaldehyde7721-62-2WX979Y8NW7EINECS 231-759-8NSC-109346DTXSID30227965NSC 109346Benzaldehyde, 4,5-dimethoxy-2-methyl-RefChem:96514DTXCID80150456231-759-84,5-Dimethoxy-2-methyl-benzaldehyde
Show more names
6-Methyl-veratraldehyde2-Methyl-4,5-dimethoxybenzaldehyde4,5-Dimethoxy-2-methylbenzaldehyde - [D70293]
MFCD00094433NSC1093466-MethylveratraldehydeUNII-WX979Y8NW7SCHEMBL1494078ALBB-036676HAA72162BBL025901
Database identifiers
- CAS
7721-62-2- PubChem CID
- 82141
- DTXSID
DTXSID30227965- UNII
- WX979Y8NW7
- EC Number
- 231-759-8
- Nikkaji
- J60.301E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 86 · 86-87℃
- Boiling point
- 298 ℃ · 298℃
- Density
- 1.089 · 1.089
- Flash point
- 125 ℃ · 125℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Off-white to light yellow Solid
- FDA UNII
- 979 Y8NW7 · WX979Y8NW7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers51 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京诺利斯医药科技有限公司13901585132 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED
Related reactions
4 records
Compound notes
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