Methyl (2S)-2-oxiranecarboxylate

HCID 10942355CAS 118712-39-3

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Basic information

Standard SMILES: COC(=O)[C@@H]1CO1
InChIKey: YKNYRRVISWJDSR-VKHMYHEASA-N
Molecular formula: C4H6O3
Average molar mass: 102.09 g/mol
Monoisotopic mass: 102.03169405

Names & identifiers

Preferred name: Methyl (2S)-2-oxiranecarboxylate
IUPAC: methyl (2S)-oxirane-2-carboxylate
English name: Methyl (2S)-glycidate
Molecular formula: C4H6O3
Molecular weight: 102.09

Names & synonyms

118712-39-3Methyl (2S)-2-oxiranecarboxylateDTXSID101301062RefChem:812178DTXCID001731163Methyl (2S)-glycidatemethyl (2S)-oxirane-2-carboxylate(S)-Methyl oxirane-2-carboxylatemethyl (S)-glycidate(S)-Methylglycidate(2S)-MethylglycidateMFCD00274190

Show more names

(2S)-Methylglycidate 98%Methyl-2,3-epoxypropanoateMETHYL-(S)-OXIRANECARBOXYLATEMethyl (2S)-2,3-epoxypropanoate

SCHEMBL839706AC2359CS-11759CS-0063139Oxiranecarboxylic acid, methyl ester, (2S)-(S)-methyl glycidateMethyl(2S)-glycidate1-(3-Aminopropyl)adamantanehydrochloride

Database identifiers

CAS: 118712-39-3
PubChem CID: 10942355
DTXSID: DTXSID101301062
EC Number: 601-557-8
Nikkaji: J623.385F

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 38.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 88.9

Physicochemical properties

Boiling point: 70 ℃/11mm · 70℃/11mm
Density: 1.166 g/mL · 1.166 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.42(lit.)
Flash point: 72 °C · 72 °C
storage temp.: 2 · 2-8°C
Specific Gravity: 1.166 · 1.166
Appearance: Colorless to light yellow Liquid
optical activity: 20 · [α]20/D 32°, c = 1 in chloroform
InChI: 1S/C4H6O3/c1-6-4(5)3-2-7-3/h3H,2H2,1H3/t3-/m0/s1
InChIKey: YKNYRRVISWJDSR-VKHMYHEASA-N
SMILES: COC(=O)[C@@H]1CO1
UNSPSC Code: 12352005 · 12352005
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · NA 1993 / PGIII
WGK Germany: 3 · 3
HS Code: 2906190090 · 2906190090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.