Basic information
- CAS
10031-87-5- Standard SMILES
CCC(CC)COC(C)=O- InChIKey
HQLKZWRSOHTERR-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Overview
2-ethylbutyl acetate appears as a clear colorless liquid. Denser than water and insoluble in water. Vapors heavier than air.
Names & identifiers
- Preferred name
- 2-Ethylbutyl acetate
- IUPAC
- 2-ethylbutyl acetate
- English name
- 2-Ethylbutyl acetate
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
2-Ethylbutyl acetateAcetic acid, 2-ethylbutyl ester2-ethyl butyl acetatebeta-Ethylbutyl acetateUNII-R7S9T22253HQLKZWRSOHTERR-UHFFFAOYSA-EINECS 233-095-4R7S9T22253DTXSID50649162-ETHYL BUTYL ACETATE [FHFI]RefChem:86949DTXCID6032516
Show more names
FEMA 24252-EthylbutylAcetate>2-ETHYLBUTYL ACETATE 98+%Acetic acid ethylbutyl ester2-Ethylbutyl Acetate, ≥ 98.0%2-Ethylbutyl acetate USP/EP/BP
233-095-4CAPROIC ACID ETHYL ESTERETHYL BUTYL ACETATEETHYLBUTYL ACETATEHQLKZWRSOHTERR-UHFFFAOYSA-NInChI=1/C8H16O2/c1-4-8(5-2)6-10-7(3)9/h8H,4-6H2,1-3H310031-87-5Acetic Acid 2-Ethylbutyl Ester
Database identifiers
- CAS
10031-87-5- PubChem CID
- 61448
- DTXSID
DTXSID5064916- ChEBI
CHEBI:179948- UNII
- R7S9T22253
- EC Number
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.4
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (2-Ethylbutyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.8784 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
6.4 mg/mL at 20 °C
(in ethanol)
Flash Point130 °F (NFPA, 2010)
Boiling Point
161.00 to 163.00 °C. @ 740.00 mm Hg
160-163 °C
Melting Point< -100 °C
Refractive Index1.4109
Physical Description
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 47 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Acetic acid, 2-ethylbutyl ester
Acetic acid, 2-ethylbutyl ester: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
· May cause toxic effects if inhaled or absorbed through skin.
DOT ID and Guide1177 130
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsHighly Flammable
Reactivity Profile
2-ETHYLBUTYL ACETATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationAcetic acid, 2-ethylbutyl ester: ACTIVE
Applications
UsesSolvent for nitrocellulose lacquers, flavoring.2-Ethylbutyl acetate is comparatively stable against hydrolysis, and finds therefore some use in soap Perfumery to lend fruity notes and lift to the ponion of the composition. It blends well with aldehydic and rosy fragrance types, and supports Geranium, Lavender or minty notes excellently.Traces of the ester arc occasionally used in flavor compositions for fruit complexes, etc. Usually about 5 to 8 ppm in the finished product.
General DescriptionA clear colorless liquid. Flash point 130°F. Denser than water and insoluble in water. Vapors heavier than air.
Preparation methods
PreparationBy reacting 2-ethylbutanol with acetic anhydride or acetic acid in the presence of sulfuric acid.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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