Basic information
- CAS
78-39-7- Standard SMILES
CCOC(C)(OCC)OCC- InChIKey
NDQXKKFRNOPRDW-UHFFFAOYSA-N- Molecular formula
- C8H18O3
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.12559444
Names & identifiers
- Preferred name
- Triethyl orthoacetate
- IUPAC
- 1,1,1-triethoxyethane
- English name
- Triethyl orthoacetate
- Molecular formula
- C8H18O3
- Molecular weight
- 162.23
Names & synonyms
Triethyl orthoacetate1,1,1-TriethoxyethaneEthane, 1,1,1-triethoxy-UNII-48352MHC78NSC 5596NSC-5596EINECS 201-112-448352MHC78AI3-23843DTXSID4058815RefChem:191512Ethane, 1,1,1triethoxy
Show more names
TEOATriethylorthoacetatTRIETHYL-O-ACETATEtriethyl ester orthoacetic acidETHYL O-ACETATETriethyl proacetateTRIETHYL ORTHACETATE
DTXCID80481012-(HYDROXYMETHYL)-6-(OCT-1-EN-3-YLOXY)OXANE-3,4,5-TRIOLInChI=1/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4HNDQXKKFRNOPRDW-UHFFFAOYSA-N78-39-7Ethyl orthoacetateOrthoacetic acid, triethyl esterMFCD00009223
Database identifiers
- CAS
78-39-7- PubChem CID
- 66221
- DTXSID
DTXSID4058815- UNII
- 48352MHC78
- EC Number
- 201-112-4
- Nikkaji
- J4.220J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 76.3
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Ethers, Other
SpringerMaterials PropertiesChemical shift
Physical DescriptionColorless liquid; [Aldrich MSDS]
Physicochemical properties
- Boiling point
- 142 °C · 142 °C (lit.)
- Density
- 0.885 g/mL · 0.885 g/mL at 25 °C (lit.)
- vapor pressure
- 3.4 hPa · 3.4 hPa (20 °C)
- RTECS
- 4075000 · KJ4075000
- refractive index
- 20 · n20/D 1.396(lit.)
- Flash point
- 97 °F · 97 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- Liquid
- color
- Clear colorless to slightly yellow
Safety & regulation
GHS classification
GHS Classification
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 99 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethane, 1,1,1-triethoxy-
Status: Active Update: 22-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24416
Triethyl orthoacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Aldrich MSDS] See 1,1-Dimethoxyethane.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
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
- 10-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi
- safety_code
- 26-37/39-16
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthane, 1,1,1-triethoxy-: ACTIVE
Applications
DescriptionTriethyl orthoacetate is the ethyl orthoester of acetic acid. It is an oily liquid with a pungent odor. Triethyl orthoacetate is used as a water scavenger and as intermediate for synthesis of pharmaceuticals. It is used in organic synthesis for the introduction of the acetate group to an alcohol and in the Johnson-Claisen rearrangement.
UsesIntermediate.
UsesTriethyl orthoacetate is used as pharmaceutical and water scavenger. It is also used in organic synthesis to introduce the acetate group into an alcohol. It is involved in the Johnson-Claisen rearrangement.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
391 records
Compound notes
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