Basic information
- CAS
22807-99-4- Standard SMILES
COc1cc(OC)c(Cc2ccccc2)c(OC)c1- InChIKey
YTQHXEQIYCMRGS-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- Benzene, 1,3,5-trimethoxy-2-(phenylmethyl)-
- IUPAC
- 2-benzyl-1,3,5-trimethoxybenzene
- English name
- 2,4,6-TRIMETHOXYDIPHENYLMETHANE
- Molecular formula
- C16H18O3
- Molecular weight
- 258.31
Names & synonyms
2,4,6-TRIMETHOXYDIPHENYLMETHANEBenzyl phloroglucinol trimethyl etherBenzene, 1,3,5-trimethoxy-2-(phenylmethyl)-RefChem:562262654-181-12-benzyl-1,3,5-trimethoxybenzene22807-99-41,3,5-Trimethoxy-2-(benzyl)benzeneDTXSID0066828SCHEMBL18029929YTQHXEQIYCMRGS-UHFFFAOYSA-NAKOS024323346
Show more names
1,3,5-Trimethoxy-2-(phenylmethyl)benzene
Database identifiers
- CAS
22807-99-4- PubChem CID
- 89845
- DTXSID
DTXSID0066828- EC Number
- 654-181-1
- Nikkaji
- J422.103F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 91 · 91-93 °C
- Boiling point
- 373 · 373.0±37.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,3,5-Trimethoxy-2-(benzyl)benzene (22807-99-4)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
- TSCA
- TSCA listed
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3,5-trimethoxy-2-(phenylmethyl)-: INACTIVE
Suppliers2 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [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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