Basic information
- CAS
5556-86-5- Standard SMILES
COc1ccc(OC)c(OC)c1C=O- InChIKey
APHLYZNGFCQHCT-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 2,3,6-Trimethoxybenzaldehyde
- IUPAC
- 2,3,6-trimethoxybenzaldehyde
- English name
- 2,3,6-trimethoxybenzaldehyde
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
2,3,6-Trimethoxybenzaldehyde5556-86-5DD5LX99GGREINECS 226-918-3DTXSID90204116RefChem:81448DTXCID90126607226-918-32,3,6-Trimethoxy-benzaldehydeMFCD06739499UNII-DD5LX99GGRSCHEMBL1001988
Show more names
Benzaldehyde, 2,3,6-trimethoxy-2,3,6-trimethoxybenzaldehyde2,3,6-trimethoxybenzaldehyde
SCHEMBL26762942,3,6-Trimethoxy BenzaldehydeSCHEMBL29459689APHLYZNGFCQHCT-UHFFFAOYSA-NFAA55686AKOS006293880SY491877DB-127381
Database identifiers
- CAS
5556-86-5- PubChem CID
- 79675
- DTXSID
DTXSID90204116- UNII
- DD5LX99GGR
- EC Number
- 226-918-3
- Nikkaji
- J225.013F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 5 LX99GGR · DD5LX99GGR
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H225
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H225
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽合诺生物科技有限公司18455579438
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Shenzhen Shengda Pharmaceutical co Limited755-85269922 · [email protected]
安阳市椿化科技有限公司13271120151 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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