Basic information
- CAS
95061-47-5- Standard SMILES
CC(=O)O[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1- InChIKey
GXLZCXZLVDUDHP-OAQYLSRUSA-N- Molecular formula
- C22H20O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.1412445
Overview
See also: 1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (2R)- (annotation moved to).
Names & identifiers
- Preferred name
- (R)-(+)-2-hydroxy-1,2,2-triphenylethyl acetate
- IUPAC
- [(1R)-2-hydroxy-1,2,2-triphenylethyl] acetate
- English name
- (R)-(+)-2-Hydroxy-1,2,2-triphenylethyl acetate
- Molecular formula
- C22H20O3
- Molecular weight
- 332.39
Names & synonyms
95061-47-5(R)-(+)-2-hydroxy-1,2,2-triphenylethyl acetate(r)-2-hydroxy-1,2,2-triphenylethyl acetate(R)-(+)-1,1,2-Triphenyl-1,2-ethanediol 2-acetateMFCD00066242(1R)-2-hydroxy-1,2,2-triphenylethyl acetateC22H20O3[(1R)-2-hydroxy-1,2,2-triphenylethyl] acetate1,2-Ethanediol, 1,1,2-triphenyl-, 2-acetate, (R)-(R)-(+)-112-Triphenyl-12-ethanediol 2-acetateSCHEMBL3760203DTXSID70357412
Show more names
HYTRAR-HYTRA(R)-(+)-1,1,2-TriphenyL(R)-(+)-2-Hydroxy-1,2,2-triphenylethyl-2-Hydroxy-1,2,2-triphenylethyl acetate1,1,2-triphenyl-1,2-ethanediol-2-acetate(R)-(+)-2-HYDROXY-1,2,2-TRIPHENYLETHYL A
FD1256AKOS015837904AKOS015910200CS-W013933(R)-2-acetoxy-1,1,2-triphenylethanolAC-23812AS-14993SY017538
Database identifiers
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 237 · 237-240 °C(lit.)
- Boiling point
- 429.52 °C · 429.52°C (rough estimate)
- Density
- 1.1079 · 1.1079 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- sol pyridine, boiling toluene; slightly sol THF, chloroform, cold toluene
- form
- powder
- pka
- 12.4 · 12.40±0.29(Predicted)
- optical activity
- 20 · [α]20/D +212°, c = 1 in pyridine
- InChI
- 1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m1/s1
- InChIKey
- GXLZCXZLVDUDHP-OAQYLSRUSA-N
- SMILES
- CC(=O)O[C@H](c1ccccc1)C(O)(c2ccccc2)c3ccccc3
- CAS DataBase Reference
- 95061 · 95061-47-5(CAS DataBase Reference)
- UNSPSC Code
- 12352108 · 12352108
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29153900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers56 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海迪外化工科技有限公司021-61551100
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
Related reactions
1 records
Compound notes
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