Ethyl orthopropionate

HCID 66995CAS 115-80-0
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(CC)(OCC)OCC
InChIKey
FGWYWKIOMUZSQF-UHFFFAOYSA-N
Molecular formula
C9H20O3
Average molar mass
176.25 g/mol
Monoisotopic mass
176.1412445

Names & identifiers

Preferred name
Ethyl orthopropionate
IUPAC
1,1,1-triethoxypropane
English name
Triethyl orthopropionate
Molecular formula
C9H20O3
Molecular weight
176.25

Names & synonyms

Triethyl orthopropionate1,1,1-Triethoxypropane115-80-0Propane, 1,1,1-triethoxy-Ethyl orthopropionateOrthopropionic acid, triethyl esterTriethyl o-propionateOrthopropionic acid ethyl ester9UVM48BAS9TRIETHYL ORTHOPROPANOATENSC 5604NSC-5604
Show more names
TEOPorthopropionateEthyl orthopropinateTriethyl orthopropioTRIETHYL-O-PROPIONATE1,1,1-triethoxy-propanTriethyl orthopropioteTriethylorthopropionat
EINECS 204-108-0AI3-23844DTXSID2059431Triethyl opropionateRefChem:596353Propane, 1,1,1triethoxyDTXCID3033357Orthopropionic acid, triethyl ester (8CI)

Database identifiers

CAS
115-80-0
PubChem CID
66995
DTXSID
DTXSID2059431
UNII
9UVM48BAS9
EC Number
204-108-0
Nikkaji
J97.286J

Properties

Computed structural properties

XLogP
2
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionDark yellow liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
284 °C · 284 °C
Boiling point
155 · 155-160 °C (lit.)
Density
0.876 g/mL · 0.876 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.402(lit.)
Flash point
140 °F · 140 °F
storage temp.
30 °C · Store below +30°C.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (98.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Propane, 1,1,1-triethoxy-

Status: Active Update: 03-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18783

Triethyl orthopropionate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (98.7%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
29159080
risk_code
22-36/38-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropane, 1,1,1-triethoxy-: ACTIVE
Applications · 2 items

UsesTriethyl orthopropionate is used as a starting material in the synthesis of Triethyl orthoacrylate. Triethyl orthopropionate is also commonly used in Claisen rearrangement reactions that yield γ,δ-unsaturated esters.

UsesUsed as intermediates in pharmaceutical chemical and organic synthesize. It can react with N-benzoyl-glycine in the presence of 4-(dimethylamino)pyridine and acetic anhydride to produce 4-(1-ethoxy-propylidene)-2-phenyl-4H-oxazol-5-one. It is also applied as a starting material in the synthesis of Triethyl orthoacrylate. Triethyl orthopropionate is also commonly used in Claisen rearrangement reactions that yield γ,δ-unsaturated esters.

Upstream & downstream products

Suppliers50 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

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Linked notes

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