Basic information
- CAS
76646-41-8- Standard SMILES
COCc1cc(C=O)ccc1OC- InChIKey
SSPSDHKFVVPEOE-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- 4-Methoxy-3-(methoxymethyl)benzaldehyde
- IUPAC
- 4-methoxy-3-(methoxymethyl)benzaldehyde
- English name
- 4-METHOXY-3-METHOXYMETHYL-BENZALDEHYDE
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
4-methoxy-3-(methoxymethyl)benzaldehyde76646-41-8DTXSID50351736RefChem:293845DTXCID303028024-Methoxy-3-methoxymethyl-benzaldehydeMFCD01822195Benzaldehyde,4-methoxy-3-(methoxymethyl)-SCHEMBL15857953ALBB-000221SBB000215STK346896
Show more names
AKOS B000424TIMTEC-BB SBB000215CHEMBRDG-BB 4004180ART-CHEM-BB B0004244-methoxy-3-(methoxymethyl)benzaldehyde(SALTDATA: FREE)
AKOS000304062FS-5148ST036709SY079309E85511EN300-155257F031432F1967-1761
Database identifiers
- CAS
76646-41-8- PubChem CID
- 708243
- DTXSID
DTXSID50351736- EC Number
- 977-818-8
- Nikkaji
- J903.057C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 35 °C · 35 °C
- Boiling point
- 164 · 164-165 °C(Press: 15 Torr)
- Density
- 1.096 · 1.096±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
- HS Code
- 2912490090 · 2912490090
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
- 2912490090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers13 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海辰烛医药科技有限公司13162380607 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [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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