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Oxirane,2-[(phenylmethoxy)methyl]-, (2R)-(CAS No. 14618-80-5)

Oxirane,2-[(phenylmethoxy)methyl]-, (2R)- C10H12O2 (cas 14618-80-5) Molecular Structure

14618-80-5 Structure

Identification and Related Records

【Name】
Oxirane,2-[(phenylmethoxy)methyl]-, (2R)-
【Iupac name】
(2R)-2-(phenylmethoxymethyl)oxirane
【CAS Registry number】
14618-80-5
【Synonyms】
(-)-2-(Benzyloxymethyl)oxirane
(R)-(-)-Benzylglycidol
(R)-1-Benzyloxy-2,3-epoxypropane
(R)-Benzyl glycidyl ether
(R)-Benzyloxymethyloxirane
(R)-Glycidyl benzylether
Benzyl (R)-(-)-glycidylether
Oxirane,[(phenylmethoxy)methyl]-, (2R)- (9CI)
【EINECS(EC#)】
220-899-5
【Molecular Formula】
C10H12O2 (Products with the same molecular formula)
【Molecular Weight】
164.2
【Inchi】
InChI=1/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m0/s1
【Canonical SMILES】
C1C(O1)COCC2=CC=CC=C2
【Isomers smiles】
C1[C@@H](O1)COCC2=CC=CC=C2
【MOL File】
14618-80-5.mol

Chemical and Physical Properties

【Appearance】
Colorless to light yellow liquid
【Density】
1.077
【Boiling Point】
130℃ (0.1 mmHg)
【Vapour】
0.0303mmHg at 25°C
【Refractive Index】
1.517
【Flash Point】
100.9°C
【Alpha】
-5.4 o (C=5 IN TOLUENE)
【Computed Properties】
Molecular Weight:164.20108 [g/mol]
Molecular Formula:C10H12O2
XLogP3-AA:1.3
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:4
Exact Mass:164.08373
MonoIsotopic Mass:164.08373
Topological Polar Surface Area:21.8
Heavy Atom Count:12
Formal Charge:0
Complexity:130
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:4.6
Conformer Sampling RMSD:0.6
CID Conformer Count:17

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S36

Supplier Location

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Telephone:86-25-66112885

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