Basic information
- Standard SMILES
OCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1- InChIKey
LADVXQNFPXBLDY-UHFFFAOYSA-N- Molecular formula
- C21H20O3
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.1412445
Names & identifiers
- Preferred name
- 3,4-Bis(benzyloxy)benzyl alcohol
- IUPAC
- [3,4-bis(phenylmethoxy)phenyl]methanol
- English name
- 3,4-bis(benzyloxy)benzyl alcohol
- Molecular formula
- C21H20O3
- Molecular weight
- 320.38
Names & synonyms
1699-58-73,4-Bis(benzyloxy)benzyl alcohol3,4-Bis(phenylmethoxy)benzenemethanolEINECS 216-926-5DTXSID30168768NSC 145670RefChem:485808DTXCID2091259216-926-5[3,4-Bis(benzyloxy)phenyl]methanol(3,4-Bis(benzyloxy)phenyl)methanol[3,4-bis(phenylmethoxy)phenyl]methanol
Show more names
3,4-Bis(benzyloxy)benzenemethanol1,2-Dibenzyloxy-4-(hydroxymethyl)benzene
3,4-Dibenzyloxybenzyl alcoholNSC-145670Benzenemethanol, 3,4-bis(phenylmethoxy)-Benzyl alcohol, 4,5-dibenzyloxy-NSC1456704JHA3J38EPSCHEMBL5847813,4-Bisbenzyloxybenzyl alcohol
Database identifiers
- CAS
1699-58-7- PubChem CID
- 74338
- DTXSID
DTXSID30168768- UNII
- 4JHA3J38EP
- EC Number
- 216-926-5
- Nikkaji
- J203.084E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- FDA UNII
- 4 JHA3J38EP · 4JHA3J38EP
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
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
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
Uses3,4-Dibenzyloxybenzyl Alcohol is an intermediate in the synthesis of Dopal (D533885), a product of Dopamine catabolism by monoamine oxidase and may be further oxidized to 3,4-Dihydroxyphenylacetic Acid via aldehyde dehydrogenase. DOPAL can also be reduced to Hydroxy Tyrosol via cytosolic aldehyde or aldose reductase. DOPAL is harmful to nigrostriatal DA terminals and contributes to the profound putamen DA deficiency found in Parkinson's disease. Cytosolic and mitochondrial aldehyde dehydrogenase (ALDH) isoenzymes deficiency in mice results in increased levels of DOPAL, causing neurodegeneration and motor dysfunction also associated with Parkinson's disease.
Upstream & downstream products
Downstream products
Suppliers13 total
安特希（苏州）生物科技有限公司19951207836
安徽合诺生物科技有限公司0555-2761852
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [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]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
Related reactions
2 records
Linked notes
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