2-Ethylbuttersure

2-Ethylbutyric acid

HCID 6915CAS 88-09-5
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Grundinformationen

Standard-SMILES
CCC(CC)C(=O)O
InChIKey
OXQGTIUCKGYOAA-UHFFFAOYSA-N
Summenformel
C6H12O2
Durchschnittliche Molmasse
116,16 g/mol
Monoisotopische Masse
116,08372962

Überblick

2-Ethylbutanoic acid is a branched-chain fatty acid.

Namen und Bezeichner

Bevorzugter Name
2-Ethylbutyric acid
IUPAC
2-ethylbutanoic acid
Lokaler Name
2-Ethylbuttersure
Englischer Name
2-Ethylbutyric acid
Summenformel
C6H12O2
Molmasse
116.16

Namen und Synonyme

2-ETHYLBUTYRIC ACID2-Ethylbutanoic acid88-09-5Diethylacetic acidButanoic acid, 2-ethyl-3-Pentanecarboxylic acidAcetic acid, diethyl-2-Ethyl butanoic acidButyric acid, 2-ethyl-alpha-Ethylbutyric acidalpha-Ethylbuytyric acidKyselina diethyloctova
Weitere Namen anzeigen
FEMA 24292-ethylbutyricAceticacid,diethyl-(C2H5)2CHCOOH2-Ethylbutansαurediethyl-aceticaciDiethylessigsαure
FEMA No. 2429.alpha.-Ethylbutyric acidNSC 11765Kyselina diethyloctova [Czech]DTXSID2041418EINECS 201-796-4IDY8B990KEBRN 1098634

Datenbank-Bezeichner

CAS
88-09-5
PubChem CID
6915
DTXSID
DTXSID2041418
ChEMBL
CHEMBL184290
ChEBI
CHEBI:173424
UNII
IDY8B990KE
EC Number
201-796-4
Nikkaji
J3.213A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,7
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Ethylbutyric acid) -> IFRA transparency List
LogP · 2 Einträge

1.68

1.68

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Physikochemische Eigenschaften

Schmelzpunkt
-16 · -16--13 °C (lit.)
Siedepunkt
99 · 99-101 °C/18 mmHg (lit.)
Dichte
0.92 g/mL · 0.92 g/mL at 25 °C (lit.)
Dampfdruck
0.08 mm · 0.08 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.413(lit.)
FEMA
2429 · 2429 | 2-ETHYLBUTYRIC ACID

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H311 (97.3%): Toxic in contact with skin [Danger Acute toxicity, dermal]

P262, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P316, P321, P337+P317, P361+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1653 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Butanoic acid, 2-ethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 13-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24720

2-Ethylbutyric acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Safe when used as a flavoring agent in food; [JECFA] A reproductive/developmental oral study of rats produced increased kidney weights (without corresponding histopathology), no adverse effects on sexual organs or reproductive parameters, and decreased birth index with NOAEL's of 10 mg/kg/day in males, 50 mg/kg/day in females, 250 mg/kg/day for reproductive toxicity, and 50 mg/kg/day for developmental toxicity; [OECD SIDS] Dermal LD50 (rabbit) = 520 uL/kg; [RTECS] A mild skin, mucous membrane, and severe eye irritant; Harmful by skin absorption; [Acros Organics MSDS]

Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (97.3%)

Flammable liquids - Category 4

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2810 6.1/PG 3
hs_code
29159080
RTECS-Nr.
ET1400000
risk_code
21-36/37/38-34

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

UsesUsed as a flavoring agent; [FDA] Used mainly as an intermediate; [OECD SIDS]
Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationButanoic acid, 2-ethyl-: ACTIVE

Anwendungen

OccurrenceReported found in guava fruit, wheaten bread and cheeses (Parmesan, blue, cheddar, provolone, Romano and goat), apple, banana, grape, melon, papaya, peach, pineapple and more.

Verwenden2-Ethylbutyric Acid is a flavoring agent that is a clear liquid, color- less, with a rancid odor. it is miscible in alcohol and ether, sparingly soluble in water, and is obtained by chemical synthesis.

Darstellung

synthetischeBy catalytic oxidation of diethylacetaldehyde or by decarboxylation of diethylmalonic acid.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
三门峡奥科化工有限公司0398-3711988 13525866741 · [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]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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