Basic information
- CAS
105560-93-8- Standard SMILES
COC(=O)[C@H]1O[C@H]1c1ccc(OC)cc1- InChIKey
CVZUMGUZDAWOGA-UWVGGRQHSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- methyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylate
- IUPAC
- methyl (2S,3S)-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
methyl (2S,3R)-3-(4-methoxyphenyl)oxirane-2-carboxylatemethyl (2S,3S)-3-(4-methoxyphenyl)oxirane-2-carboxylateUNII-VT0V507XJB96125-49-4Methyl 2R,3S-(-)-3-(4-methoxyphenyl)oxiranecarboxylateSCHEMBL8856846DTXSID601190658rel-Methyl (2R,3R)-3-(4-methoxyphenyl)-2-oxiranecarboxylate84976-49-8METHYL (2R,3S)-2,3-ETicagrelor Impurity 241(S)-(-)-1,1''-BI-2-NAPHTHOL 99 E.E+%
Show more names
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)-2,3-epoxy-3-(4-methoxyphenyl)propionate
Database identifiers
- CAS
105560-93-8、84976-49-8- PubChem CID
- 60016
- DTXSID
DTXSID601190658- EC Number
- 404-130-2
- Nikkaji
- J265.425C
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
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
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)
Hazard information
Regulatory InformationREACH registered substance: Methyl 2R,3S-(-)-3-(4-methoxyphenyl)oxiranecarboxylate (EC: 404-130-2)
Hazard Classes and Categories
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
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4008-755-333 18080918076 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
无锡莫拉化工产品有限公司[email protected]
池州凯隆进出口贸易有限公司[email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
湖北康鑫源顺医药化工有限公司027-51831887 15337167856 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
河北晟算化工有限公司+86-15350851019; +86-15383190639 · [email protected]
亚索试剂400-873-6778 18660992876 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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