Ethyl 2-methylpentanoate

HCID 62902
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Grundinformationen

CAS
39255-32-8
Standard-SMILES
CCCC(C)C(=O)OCC
InChIKey
HZPKNSYIDSNZKW-UHFFFAOYSA-N
Summenformel
C8H16O2
Durchschnittliche Molmasse
144,21 g/mol
Monoisotopische Masse
144,11502975

Namen und Bezeichner

Bevorzugter Name
Ethyl 2-methylpentanoate
IUPAC
ethyl 2-methylpentanoate
Englischer Name
Ethyl 2-methylpentanoate
Summenformel
C8H16O2
Molmasse
144.21

Namen und Synonyme

Ethyl 2-methylpentanoate39255-32-8Ethyl 2-methylvaleratePentanoic acid, 2-methyl-, ethyl esterMelon valerateEthyl alpha-methylvalerateFEMA No. 3488Ethyl .alpha.-methylvalerateDTXSID7047198EINECS 254-384-1405SN8638DAI3-33618
Weitere Namen anzeigen
2-methyl-pentanoicaciethylesterETHYL 2-METHYL PENTANOATE (MANZANATE)MANZANATEFEMA 3488FEMA NUMBER 3488MANZANATE, QUESTRARECHEM AL BI 0135manzanate (Givaudan)
EC 254-384-1DTXCID5027198HZPKNSYIDSNZKW-UHFFFAOYSA-ETHYL 2-METHYLPENTANOATE [FCC]ETHYL 2-METHYLPENTANOATE [FHFI]RefChem:594483(+-)-ETHYL 2-METHYLPENTANOATEETHYL 2-METHYLPENTANOATE, (+-)-

Datenbank-Bezeichner

CAS
39255-32-8
PubChem CID
62902
DTXSID
DTXSID7047198
ChEMBL
CHEMBL3186172
ChEBI
CHEBI:179947
UNII
405SN8638D
EC Number
254-384-1
Nikkaji
J101.336J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Density0.859-0.865
Solubility(in ethanol)
Boiling Point153 °C
Refractive Index1.401-1.404
Physical Description · 2 Einträge

CBI; Dry Powder; Liquid; Liquid

colourless to pale yellow liquid

Kovats Retention Index · 3 Einträge

923；937；917；917；917；919.4

936；941；940；941

1152；1141；1141

Physikochemische Eigenschaften

Siedepunkt
153 · 153-152 °C (lit.)
Dichte
0.864 g/mL · 0.864 g/mL at 25 °C (lit.)
Dampfdruck
7.56 hPa · 7.56hPa at 20℃
Brechungsindex
20 · n20/D 1.403(lit.)
FEMA
3488 · 3488 | ETHYL 2-METHYLPENTANOATE
Flammpunkt
103 °F · 103 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (> 99.9%): 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 1861 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester 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)

Status: Active Update: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

Chemical: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester 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)

Status: Active Update: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
29189900
risk_code
10
safety_code
16

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular；Membrane

Verwendung und Herstellung

U.S. Production2023: 8,500,000 - <10,000,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb
Consumer UsesOther；Fragrance
Industry UsesFragrance；Stabilizing agent
Household ProductsInformation on 67 consumer products that contain Ethyl 2-Methylvalerate in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home；• Personal Care
Use Classification · 3 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 Einträge

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing；Plastics Material and Resin Manufacturing

Pentanoic acid, 2-methyl-, ethyl ester: ACTIVE

Anbieter100 Anbieter

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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