Basic information
- CAS
105560-93-8- Standard SMILES
COC(=O)C1OC1c1ccc(OC)cc1- InChIKey
CVZUMGUZDAWOGA-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Overview
structure given in first source
Names & identifiers
- Preferred name
- Methyl 3-(4-methoxyphenyl)-2-oxiranecarboxylate
- IUPAC
- methyl 3-(4-methoxyphenyl)oxirane-2-carboxylate
- English name
- Methyl (2R,3S)-2,3-epoxy-3-(4-methoxyphenyl)propionate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
42245-42-13-(-Methoxyphenyl)glycidic acid methylesterDTXSID908858632-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl estermethyl 3-(4-methoxyphenyl)glycidateRefChem:814892t-methyl-3-phenylglycidateDTXCID20223971methyl-3-(4-methoxyphenyl)glycidatemethyl 2,3-epoxy-3-(4-methoxyphenyl)propionateMethyl 3-(4-methoxyphenyl)-2-oxiranecarboxylate255-735-1
Show more names
METHYL (2R,3S)-2,3-ETicagrelor Impurity 241(S)-(-)-1,1''-BI-2-NAPHTHOL 99 E.E+%methyl (2R,3S)-3-(4-methoxyphenyl)glycidate*Halothane Impurity 3 (Halothane EP Impurity C)(-)-(2R,3S)-2,3-Epoxy-3-(4methoxyphenyl)propronate(-)-(2R,3S)-2,2-Epoxy-3-(4-methoxyphenyl)propionate(2R,3S)-3-(4-Methoxyphenyl)glycidic acid methyl estermethyl 2R,3S-(-)-3-(4-methoxyphenyl)oxiranecarboxylate
methyl 3-(4-methoxyphenyl)oxirane-2-carboxylateMethyl 3-(p-methoxyphenyl)oxirane-2-carboxylateMETHYL (2R,3S)-2,3-EPOXY-3-(4-METHOXYPHENYL)PROPIONATEOxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester96125-49-4(2R,3S)-methyl 3-(4-methoxyphenyl)oxirane-2-carboxylateMethyl-3-4-methoxyphenyl GlycidateMethyl 3-(p-methoxyphenyl)-2,3-epoxypropionate
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 87 · 87-88 °C
- Boiling point
- 297.7 · 297.7±40.0 °C(Predicted)
- Density
- 1.224 · 1.224
- CAS DataBase Reference
- 105560 · 105560-93-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-2
- FDA UNII
- 8 MQ7L5PJ2 · D8MQ7L5PJ2
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 317 · H317-H318-H412
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P273-P501
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41-43-52/53
- Safety Statements
- 24 · 24-26-37/39-61
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
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)
Hazard information
Regulatory Information
Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4299
Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Eye damage - category 1
Eye Dam. 1
Safety data
- risk_code
- 41-43-52/53
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 24-26-37/39-61
- Hazard statements
- H317-H318-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P273-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Oxiranecarboxylic acid, 3-(4-methoxyphenyl)-, methyl ester: INACTIVE
Applications
UsesMethyl (-)-(2R,3S)-2,3-epoxy-3-(4methoxyphenyl)propronate is a chiral intermediate and is prepared using newly isolated Galactomyces geotrichum.
Upstream & downstream products
Downstream products
Suppliers35 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海康意福化学有限公司+86-576-88883591, 13255869379 · [email protected]
淄博容纳生物科技有限公司+86-86-13583358881 +8618560316533 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
艾科试剂
Related reactions
3 records
Compound notes
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