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HCID 62902Erstellt: 26. Oktober 2026

Ethyl 2-methylpentanoate

Pentanoic acid, 2-methyl-, ethyl ester · ETHYL 2-METHYLVALERATE · 2-methyl-pentanoicaciethylester · ETHYL 2-METHYL PENTANOATE (MANZANATE) · MANZANATE · FEMA 3488 · FEMA NUMBER 3488 · MANZANATE, QUEST

https://huagongshe.com/de/chemical/62902

Molekülstruktur von Ethyl 2-methylpentanoate

Identifikatoren & physikalische Daten

CAS No.39255-32-8
SummenformelC8H16O2
Durchschnittliche Molmasse144,21 g/mol
Monoisotopische Masse144,11502975 g/mol
SMILESCCCC(C)C(=O)OCC
InChIKeyHZPKNSYIDSNZKW-UHFFFAOYSA-N
PubChem CID62902
ChEMBLCHEMBL3186172
ChEBICHEBI:179947
EC No.254-384-1
DTXSIDDTXSID7047198

Chemische & physikalische Eigenschaften

XLogP2,4
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen5
Schwere Atome10
Formalladung0
Komplexität99
Dichte0.859-0.8650.864 g/mL at 25 °C (lit.)
Löslichkeit(in ethanol)467mg/L at 20℃
Siedepunkt153 °C153-152 °C (lit.)
Brechungsindex1.401-1.404n20/D 1.403(lit.)
Physical DescriptionCBIDry PowderLiquidcolourless to pale yellow liquid
Kovats Retention Index923937917919.493694194011521141
Dampfdruck7.56hPa at 20℃
FEMA3488 | ETHYL 2-METHYLPENTANOATE
Flammpunkt103 °F
LagerbedingungenSealed in dry,Room Temperature
AggregatzustandLiquid
Wichte0.864
FarbeColorless to Almost colorless
Geruchat 10.00 % in dipropylene glycol. fresh fruity green melon apple skin pineapple natural waxy
Geruchsartgreen
Biologische Quellesynthetic
JECFA Number214
Hauptanwendungenflavors and fragrances
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
InChI1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3
InChIKeyHZPKNSYIDSNZKW-UHFFFAOYSA-N
SMILESCCCC(C)C(=O)OCC
LogP (Verteilungskoeffizient)2.09 at 20℃
CAS Datenbank39255-32-8(CAS DataBase Reference)
NIST chemische InformationenPentanoic acid, 2-methyl-, ethyl ester(39255-32-8)
EPA chemische InformationenPentanoic acid, 2-methyl-, ethyl ester (39255-32-8)

Sicherheit & Vorschriften

GHS-EinstufungWarningH226 (> 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.
Regulatorische InformationenChemical: Pentanoic acid, 2-methyl-, ethyl esterPentanoic 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/10528Pentanoic 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%)
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3272 3/PG 3
Zollcode29189900
R-Sätze (R)10
Sicherheitshinweise (S)16
Gefahrenklasse3Flam. Liq. 3
VerpackungsgruppeIII
Lagerklasse3 - Flammable liquids