Basic information
- CAS
29682-12-0- Standard SMILES
CC(=O)c1ccc(OCc2ccccc2)cc1O- InChIKey
AGQNLHOTLJFJCG-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.09429431
Names & identifiers
- Preferred name
- 4'-Benzyloxy-2'-hydroxyacetophenone
- IUPAC
- 1-(2-hydroxy-4-phenylmethoxyphenyl)ethanone
- English name
- 4'-Benzyloxy-2'-hydroxyacetophenone
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
4'-Benzyloxy-2'-hydroxyacetophenoneDTXSID40309246RefChem:505980DTXCID30260372660-190-129682-12-01-(4-(benzyloxy)-2-hydroxyphenyl)ethanone4-Benzyloxy-2-hydroxyacetophenoneMFCD000546121-(2-hydroxy-4-phenylmethoxyphenyl)ethanoneEthanone, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-2-HYDROXY-4-BENZYLOXYACETOPHENONE
Show more names
VDUP1-THIF)ARRDC6HHCPA78EST01027NSC 2114605-Diacetate-Bromohymenin-(Amino-κ-Thiothymidine
1-[4-(benzyloxy)-2-hydroxyphenyl]ethanone1-[4-(benzyloxy)-2-hydroxyphenyl]ethan-1-one1-(4-Benzyloxy-2-hydroxyphenyl)ethanoneCHEMBL55694891-[2-hydroxy-4-(phenylmethoxy)phenyl]ethanone(5alpha,17beta)-3-Oxo-4-azaandrost-1-ene-17-carboxamide1-(4-(benzyloxy)-2-hydroxyphenyl)ethan-1-one1-[2-Hydroxy-4-(phenylmethoxy)phenyl]-ethanone
Database identifiers
- CAS
29682-12-0- PubChem CID
- 309257
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 104 · 104-106°C
- Boiling point
- 415.7 · 415.7±30.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- pka
- 9.79 · 9.79±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow to Dark green
- InChI
- InChI=1S/C15H14O3/c1-11(16)14-8-7-13(9-15(14)17)18-10-12-5-3-2-4-6-12/h2-9,17H,10H2,1H3
- InChIKey
- AGQNLHOTLJFJCG-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=C(OCC2=CC=CC=C2)C=C1O)C
- 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
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914.50.3000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesIsolated from Gnetum ula.
Preparation methods
PreparationPreparation by reaction of resacetophenone, with benzyl chloride, in the presence of potassium carbonate in refluxing acetone.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers91 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Related reactions
21 records
Compound notes
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