Basic information
- CAS
85-24-5- Standard SMILES
CCCCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1- InChIKey
XRCGPZWJUXJKJF-UHFFFAOYSA-N- Molecular formula
- C21H26O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18310931
Names & identifiers
- Preferred name
- 2,2'-Dihydroxy-4-(octyloxy)benzophenone
- IUPAC
- (2-hydroxy-4-octoxyphenyl)-(2-hydroxyphenyl)methanone
- English name
- 2,2'-dihydroxy-4-octyloxybenzophenone
- Molecular formula
- C21H26O4
- Molecular weight
- 342.43
Names & synonyms
Cyasorb UV 314[2-Hydroxy-4-(octyloxy)phenyl](2-hydroxyphenyl)methanone2,2'-Dihydroxy-4-octyloxybenzophenone(2-Hydroxy-4-(octyloxy)phenyl)(2-hydroxyphenyl)methanoneBENZOPHENONE, 2,2'-DIHYDROXY-4-(OCTYLOXY)-BRN 1890543EINECS 201-594-6S229IF31SYUNII-S229IF31SY2,2'-dihydroxy-4-(octyloxy)benzophenoneDTXSID602340462,2'-Dihydroxy-4-octoxybenzophenone
Show more names
2,2'-Dihydroxy-4-oktyloxybenzofenon2,2'-Dihydroxy-4-oktyloxybenzofenon [czech]Methanone, [2-hydroxy-4-(octyloxy)phenyl](2-hydroxyphenyl)-
UV 3142,2'-Dihydroxy-4'-octoxybenzophenoneRefChem:197255DTXCID60156537XRCGPZWJUXJKJF-UHFFFAOYSA-N85-24-5USAF CY-182,2'-Dihydroxy-4-n-octoxybenzophenone
Database identifiers
- CAS
85-24-5- PubChem CID
- 6801
- DTXSID
DTXSID60234046- UNII
- S229IF31SY
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 384
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 90.5 · 90.5-91°C
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 229 IF31SY · S229IF31SY
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Preparation methods
Preparationpreparation by reaction of octyl bromide with 2,2′,4-tri-hydroxybenzophenone,in the presence of potassium carbonate (50%) ;in the presence of sodium carbonate in refluxing dilute ethanol.
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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