CAS 17639-76-8 Propanoic acid, 2-methoxy-, methyl ester (HCID 86599)

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Basic information

CAS: 17639-76-8
Standard SMILES: COC(=O)C(C)OC
InChIKey: VABBJJOSOCPYIT-UHFFFAOYSA-N
Molecular formula: C5H10O3
Average molar mass: 118.13 g/mol
Monoisotopic mass: 118.06299418

Names & identifiers

Preferred name: Propanoic acid, 2-methoxy-, methyl ester
IUPAC: methyl 2-methoxypropanoate
English name: Methyl 2-methoxypropionate
Molecular formula: C5H10O3
Molecular weight: 118.13

Names & synonyms

Methyl 2-methoxypropionateMethyl 2-methoxypropanoatePropanoic acid, 2-methoxy-, methyl esterEINECS 241-622-4DTXSID20884980RefChem:176336DTXCID20836146241-622-4VABBJJOSOCPYIT-UHFFFAOYSA-N17639-76-8MFCD00151664methyl 2-methoxy-propionate

Show more names

Methyl-2-methoxypropionatMethyl2-methoxypropanoate2-methoxy-propanoicacimethylesterPropanoicacid,2-methoxy-,methylesterMETHYL 2-METHOXYPROPIONATE USP/EP/BP2-Methoxypropanoic acid methyl esterR,S-2-Methoxy-propionicacidmethylester(R,S)-2-Methoxy-propionicacidmethylester

SCHEMBL35974SCHEMBL7361116SCHEMBL8441878AKOS005256968AT18834BS-21815SY047771DB-012955

Database identifiers

CAS: 17639-76-8
PubChem CID: 86599
DTXSID: DTXSID20884980
EC Number: 241-622-4
Nikkaji: J287.099A

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 79.7

Physicochemical properties

Boiling point: 43 · 43-44°C
Density: 1.0108 g/cm3 · 1.0108 g/cm3
refractive index: 1.397 · 1.3970
Flash point: 36 °C · 36°C
Water Solubility: Soluble in water.
BRN: 1720819 · 1720819
InChI: InChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3
InChIKey: VABBJJOSOCPYIT-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(OC)C
LogP: 0.36 · 0.360 (est)
EPA Substance Registry System: 2 · Methyl 2-methoxypropionate (17639-76-8)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

tsca: TSCA listed
ridadr: 3272
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
safety_code: 16-26-36
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Precautionary statements: P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoic acid, 2-methoxy-, methyl ester: ACTIVE

Applications

UsesMethyl 2-Methoxypropionate is used as a reagent in the synthesis of 2-methoxy-2-methyl-3-{6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyridin-3-yl}propanoic acid which is a dual PPARα/γ agonist.

UsesMethyl 2-methoxypropionate, is used as a pharmaceutical intermediate.