Basic information
- CAS
1608-72-6- Standard SMILES
CCOC(C)OC(C)=O- InChIKey
FAIARWOGQAQTPS-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Overview
(+/-)-1-Acetoxy-1-ethoxyethane is a carboxylic ester.
Names & identifiers
- Preferred name
- 1-Ethoxyethyl acetate
- IUPAC
- 1-ethoxyethyl acetate
- English name
- 1-ethoxyethyl acetate
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
1-Ethoxyethyl acetate1608-72-61-ethoxy-1-ethanol acetateEthanol, 1-ethoxy-, 1-acetateEINECS 216-537-0NSC 55203NSC-55203UNII-5936511914Ethanol, 1-ethoxy-, acetateFEMA NO. 4069DTXSID70862713RefChem:75697
Show more names
Acetic acid 1-ethoxyethyl ester
DTXCID70811443(+-) 1-ACETOXY-1-ETHOXYETHANE(+-)-1-ACETOXY-1-ETHOXYETHANE(+-)-1-ACETOXY-1-ETHOXYETHANE [FHFI]216-537-05936511914(+/-)-1-Acetoxy-1-ethoxyethaneCefuroxime Axetil Impurity 2
Database identifiers
- CAS
1608-72-6- PubChem CID
- 97895
- DTXSID
DTXSID70862713- ChEBI
CHEBI:173538- UNII
- 5936511914
- EC Number
- 216-537-0
- Nikkaji
- J195.230G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Boiling Point136.00 to 138.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Boiling point
- 128 · 128-130 °C
- Density
- 0.9455 g/cm3 · 0.9455 g/cm3
- FLAVIS Number
- 3.023 · 03.023 | 1-Ethoxyethyl acetate
- FEMA
- 4069 · 4069 | (+/-)-1-ACETOXY-1-ETHOXYETHANE
- Odor
- 100 % · at 100.00 %. fresh green estery fruity aromatic melon rind bell pepper sour acetic citrus
- Odor Type
- green
- JECFA Number
- 1726 · 1726
- LogP
- 0.9 · 0.90
- Substances Added to Food (formerly EAFUS)
- -1 · (+/-)-1-ACETOXY-1-ETHOXYETHANE
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
DescriptionClear, colorless liquid; refreshing, fruity aroma.
Suppliers8 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
海蔚化学86-21-51086038 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: (+/-)-1-Acetoxy-1-ethoxyethane is a carboxylic ester.
Related reactions
4 records
Compound notes
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