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Oxirane,2-[(phenylmethoxy)methyl]-, (2S)-(CAS No. 16495-13-9)

Oxirane,2-[(phenylmethoxy)methyl]-, (2S)- C10H12O2 (cas 16495-13-9) Molecular Structure

16495-13-9 Structure

Identification and Related Records

【Name】
Oxirane,2-[(phenylmethoxy)methyl]-, (2S)-
【Iupac name】
(2S)-2-(phenylmethoxymethyl)oxirane
【CAS Registry number】
16495-13-9
【Synonyms】
Oxirane,[(phenylmethoxy)methyl]-, (2S)- (9CI)
Oxirane, [(phenylmethoxy)methyl]-, (S)-
Propane, 1-(benzyloxy)-2,3-epoxy-, (S)- (8CI)
(+)-2-(Benzyloxymethyl)oxirane
(+)-Glycidyl benzyl ether
(2S)-2-[(Benzyloxy)methyl]oxirane
(S)-(Benzyloxymethyl)oxirane
(S)-2-(Benzyloxymethyl)oxirane
(S)-Glycidyl benzyl ether
Benzyl(S)-glycidyl ether
【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-/m1/s1
【Canonical SMILES】
C1C(O1)COCC2=CC=CC=C2
【Isomers smiles】
C1[C@H](O1)COCC2=CC=CC=C2
【MOL File】
16495-13-9.mol

Chemical and Physical Properties

【Appearance】
Colorless to light yellow liquid
【Density】
1.072
【Boiling Point】
130℃ (0.1 mmHg)
【Refractive Index】
n20/D 1.517
【Flash Point】
100.9°C
【Alpha】
5.1 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:16

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Safety】

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of (+)-(Benzyloxymethyl)oxirane (CAS NO.16495-13-9):
Hazard Codes: Xi
Risk Statements: 36/37/38 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin  
Safety Statements: 26-36-37/39
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing  
37:  Wear suitable gloves  
39:  Wear eye/face protection

【Specification】

 (+)-(Benzyloxymethyl)oxirane ,its CAS NO. is 16495-13-9,the synonyms is (s)-O-benzylglycidol ; (s)-(+)-2-(Benzyloxymethyl)oxirane ; (s)-(+)-1-Benzyloxy-2,3-epoxypropane ; (s)-1-Benzyloxy-2,3-epoxypropane ; (s)-(+)-Benzyl glycidyl ether ; (s)-Benzyl glycidyl ether ; (s)-Benzyloxymethyl-oxirane ; (+)-Benzyl (s)-glycidyl ether .

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