Propanoic acid, 3-methoxy-, ethyl ester

HCID 82767

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 10606-42-5
Standard SMILES: CCOC(=O)CCOC
InChIKey: IJUHLFUALMUWOM-UHFFFAOYSA-N
Molecular formula: C6H12O3
Average molar mass: 132.16 g/mol
Monoisotopic mass: 132.07864424

Names & identifiers

Preferred name: Propanoic acid, 3-methoxy-, ethyl ester
IUPAC: ethyl 3-methoxypropanoate
English name: 3-METHOXYPROPIONIC ACID ETHYL ESTER
Molecular formula: C6H12O3
Molecular weight: 132.16

Names & synonyms

Ethyl 3-methoxypropanoateEthyl 3-methoxypropionate10606-42-5Propanoic acid, 3-methoxy-, ethyl esterBRN 1748684AI3-03239Propionic acid, 3-methoxy-, ethyl esterDTXSID8073392IJUHLFUALMUWOM-UHFFFAOYSA-RefChem:869520Propanoic acid, 3-methoxy-, ethyl ester (9CI)DTXCID4033003

Show more names

ethyl3-methoxypropanoateEthyl3-Methoxypropionate>methoxypropionicacidethylester3-methoxy-propionicaciethylester3-methoxy-propanoicaciethylester

672-631-5922-898-1InChI=1/C6H12O3/c1-3-9-6(7)4-5-8-2/h3-5H2,1-2H33-Methoxypropionic Acid Ethyl EsterMFCD00143172ethyl3-methoxypropionateSCHEMBL107227SCHEMBL7361037

Database identifiers

CAS: 10606-42-5
PubChem CID: 82767
DTXSID: DTXSID8073392
EC Number: 672-631-5、922-898-1
Nikkaji: J192.705A

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 80

Physicochemical properties

Boiling point: 158 °C · 158 °C
Density: 0 · 0,98 g/cm3
refractive index: 1.403 · 1.4030-1.4060
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.98 · 0.98
InChI: InChI=1S/C10HF19O5/c11-2(12,1(30)31)32-7(22,23)8(24,25)34-10(28,29)9(26,27)33-6(20,21)4(15,16)3(13,14)5(17,18)19/h(H,30,31)
InChIKey: IJUHLFUALMUWOM-UHFFFAOYSA-N
SMILES: O(CCC(=O)OCC)C
CAS DataBase Reference: 10606 · 10606-42-5
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 3 · Propanoic acid, 3-methoxy-, ethyl ester (10606-42-5)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
target organs: Respiratory system
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3272 · 3272
WGK Germany: 3 · WGK 3
RTECS: 5273000 · UF5273000
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2918999090 · 2918999090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 STOT · Flam. Liq. 3STOT SE 3

Safety & regulation

Safety data

wgk: WGK 3
rtecs: UF5273000
ridadr: 3272
hs_code: 2918999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 26-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226
Hazard Classifications: Flam. Liq. 3STOT SE 3
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Chemistry & industry

Suppliers28 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Aladdin Scientific[email protected]

Related reactions

1 records

New reaction record

HRID 1709355As productuspto-grants-1990_08

Compound notes

Loading…