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Hydrobenzoin
[CAS# 492-70-6]

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Identification
Name Hydrobenzoin
Synonyms 1,2-Ethanediol, 1,2-Diphenyl-, (R*,R*)-(.+/-.)-; Mls001180169; Smr000475647
Molecular Structure CAS#: 492-70-6, Hydrobenzoin
Molecular Formula C14H14O2
Molecular Weight 214.26
CAS Registry Number 492-70-6
EINECS 207-758-3
SMILES C2=C(C(C(C1=CC=CC=C1)O)O)C=CC=C2
InChI 1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H
InChIKey IHPDTPWNFBQHEB-UHFFFAOYSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Melting point 123°C (Expl.)
Boiling point 373.0±37.0°C at 760 mmHg (Cal.)
Flash point 179.8±21.1°C (Cal.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
References
(1) Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493
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