2-Ethylbutyraldehyde

HCID 7359

Basic information

CAS
97-96-1
Standard SMILES
CCC(C=O)CC
InChIKey
UNNGUFMVYQJGTD-UHFFFAOYSA-N
Molecular formula
C6H12O
Average molar mass
100.16 g/mol
Monoisotopic mass
100.088815

Overview

2-ethylbutyraldehyde appears as a clear colorless liquid. Less dense than water and insoluble in water. Vapors heavier than air.

Names & identifiers

Preferred name
2-Ethylbutyraldehyde
IUPAC
2-ethylbutanal
English name
2-Ethylbutyraldehyde
Molecular formula
C6H12O
Molecular weight
100.16

Names & synonyms

2-Ethylbutanal2-ETHYLBUTYRALDEHYDE97-96-1Butanal, 2-ethyl-Diethylacetaldehyde3-Formylpentane2-Ethylbutyric aldehydeButyraldehyde, 2-ethyl-alpha-EthylbutanalEthyl butyraldehyde2-Ethylbutyric aledhydeDiethyl acetaldehyde
Show more names
FEMA 24263-ethylpentanal(C2H5)2CHCHO2-ethyl-butanaα-Ethylbutanal2-ethylbutyral
Aldehyde 2-ethylbutyriqueEthylbutyraldehydealpha-EthylbutyraldehydeFEMA No. 2426NSC 6757DTXSID3049380Aldehyde 2-ethylbutyrique [French]EINECS 202-623-5

Database identifiers

CAS
97-96-1
PubChem CID
7359
DTXSID
DTXSID3049380
ChEMBL
CHEMBL273782
ChEBI
CHEBI:173345
UNII
676JY5569P
EC Number
202-623-5
Nikkaji
J35.112A

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
7

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.808-0.814
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

miscible with alcohol, ether; soluble in water 1 ml in 50 ml

(in ethanol)

Physicochemical properties

Melting point
-89 °C · -89°C
Boiling point
117 °C · 117 °C(lit.)
Density
0.814 g/mL · 0.814 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.402(lit.)
FEMA
2426 · 2426 | 2-ETHYLBUTYRALDEHYDE
FLAVIS Number
5.007 · 05.007 | 2-Ethylbutanal

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (13.2%): Highly Flammable liquid and vapor [Danger 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 1495 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Butanal, 2-ethyl-

Butanal, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanal, 2-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Butanal, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

· May cause toxic effects if inhaled or absorbed through skin.

DOT ID and Guide1178 130
Reactive GroupAldehydes

Safety & protection

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Accidental Release Measures · 2 items

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and Evacuation · 2 items

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:

Immediate precautionary measure

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
rtecs
ES2625000
ridadr
UN 1178
hs_code
29121900

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

U.S. Production2022: <50,000 lb
Consumer UsesFragrance
Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationButanal, 2-ethyl-: ACTIVE
Applications · 5 items

DescriptionEthyl butyraldehyde is a colorless liquid.Molecular weight = 100.18; Boiling point = 116.8℃;Freezing/Melting point = - 89℃; Flash point = 21℃ (oc).Explosive limits: LEL = 1.2%; UEL = 7.7%. HazardIdentification (based on NFPA-704 M Rating System):Health 2, Flammability 3, Reactivity 1. Insoluble in water.

OccurrenceReported found in melon, French fried potato, wheaten bread, scallops, citrus fruits, white bread and maize.

Uses2-Ethylbutyraldehyde has been used in the preparation of aldoximes using aqueous hydroxylamine.

UsesOrganic synthesis, pharmaceuticals, rubber accelerators, synthetic resins.

General DescriptionA clear colorless liquid. Flash point 70°F. Less dense than water and insoluble in water. Vapors heavier than air.

Suppliers97 total

山东玖玥生物科技有限公司15553333686
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Additional notes

DefinitionChEBI: 2-Ethylbutanal is an organooxygen compound.

Related reactions

74 records

Compound notes

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