(1S,2S)-(-)-1-Phenylpropylene oxide

HCID 119448

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Basic information

CAS: 23355-97-7
Standard SMILES: C[C@@H]1O[C@H]1c1ccccc1
InChIKey: YVCOJTATJWDGEU-IONNQARKSA-N
Molecular formula: C9H10O
Average molar mass: 134.17 g/mol
Monoisotopic mass: 134.07316494

Names & identifiers

Preferred name: (1S,2S)-(-)-1-Phenylpropylene oxide
IUPAC: (2S,3S)-2-methyl-3-phenyloxirane
English name: 1-PHENYL-1,2-EPOXYPROPANE
Molecular formula: C9H10O
Molecular weight: 134.18

Names & synonyms

(1S,2S)-(-)-1-Phenylpropylene oxide4518-66-5RefChem:393980625-582-9trans-2-Methyl-3-phenyloxiranetrans-beta-Methylstyrene oxide(1S,2S)-(-)-1-PHENYLPROPYLENEOXIDE23355-97-7trans-beta-Methylstyrene 7,8-oxide(2S,3R)-2-methyl-3-phenyloxiraneCCRIS 6862trans-beta-Methylstyrene epoxide

Show more names

1-PHENYL-1,2-EPOXYPROPANEtrans-β-Methylstyrene oxidetrans-β-Methylstyrene 7,8-oxiderel-2β*-Methyl-3α*-phenyloxiraneTRANS-BETA-METHYLSTYRENE7,8-OXIDErel-(2S*,3S*)-2-Methyl-3-phenyloxiranerel-(2R*,3R*)-2-Phenyl-3-methyloxiranerel-(2R*,3R*)-2α*-Methyl-3β*-phenyloxirane

trans-(1,2-Epoxypropyl)benzeneRel-(2R,3R)-2-methyl-3-phenyloxiraneOxirane, 2-methyl-3-phenyl-, trans-Benzene, (1,2-epoxypropyl)-, trans-BRN 0081111starbld0000980(1S,2S)-(-)-1-Phenyl-1,2-epoxypropaneOxirane, 2-methyl-3-phenyl-, (2R,3R)-rel-

Database identifiers

CAS: 23355-97-7、4518-66-5
PubChem CID: 119448
DTXSID: DTXSID301030904
EC Number: 625-582-9
Nikkaji: J323.715J

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Boiling point: 88 °C · 88 °C(Press: 13 Torr)
Density: 1.045 · 1.045±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.