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HCID 221069Erstellt: 31. Oktober 2026

Propyl levulinate

Propyl 4-oxopentanoate · PROPYL LEVULINATE · N-propyl levulinate · Propyl 4-Oxovalerate · Pentanoic acid, 4-oxo-, propyl ester

https://huagongshe.com/de/chemical/221069

Identifikatoren & physikalische Daten

CAS No.	645-67-0
Summenformel	C8H14O3
Durchschnittliche Molmasse	158,19 g/mol
Monoisotopische Masse	158,0942943 g/mol
SMILES	CCCOC(=O)CCC(C)=O
InChIKey	QOSMNYMQXIVWKY-UHFFFAOYSA-N
PubChem CID	221069
ChEBI	CHEBI:173677
EC No.	110-435-9
DTXSID	DTXSID70214753

Chemische & physikalische Eigenschaften

XLogP	0,6
Polarare Oberfläche (TPSA)	43,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	6
Schwere Atome	11
Formalladung	0
Komplexität	140
SpringerMaterials Properties	Boiling point
Lebensmittelzusatzstoffe	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	0.989-0.995 (20 °C)0.9896
Löslichkeit	Practically insoluble or insoluble in waterSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly)
Siedepunkt	220.00 to 221.00 °C. @ 760.00 mm Hg220-221 °C218°C (estimate)
Brechungsindex	1.419-1.4251.4258
Physical Description	Clear colourless liquidSweet very slight carmellic aroma
FEMA	4480 \| PROPYL LEVULINATE
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	clear liquid
Farbe	Colorless to Almost colorless
Geruch	sweet caramellic
Geruchsart	caramellic
JECFA Number	1971
InChI	InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3
InChIKey	QOSMNYMQXIVWKY-UHFFFAOYSA-N
SMILES	C(OCCC)(=O)CCC(=O)C
LogP (Verteilungskoeffizient)	0.93
CAS Datenbank	645-67-0

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2918.30.9000

CAS No.

645-67-0

Summenformel

C8H14O3

Durchschnittliche Molmasse

158,19 g/mol

Monoisotopische Masse

158,0942943 g/mol

SMILES

CCCOC(=O)CCC(C)=O

InChIKey

QOSMNYMQXIVWKY-UHFFFAOYSA-N

PubChem CID

221069

ChEBI

CHEBI:173677

EC No.

110-435-9

DTXSID

DTXSID70214753

Chemische & physikalische Eigenschaften

XLogP

0,6

Polarare Oberfläche (TPSA)

43,4

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

140

SpringerMaterials Properties

Boiling point

Lebensmittelzusatzstoffe

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Dichte

0.989-0.995 (20 °C)0.9896

Löslichkeit

Practically insoluble or insoluble in waterSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly)

Siedepunkt

220.00 to 221.00 °C. @ 760.00 mm Hg220-221 °C218°C (estimate)

Brechungsindex

1.419-1.4251.4258

Physical Description

Clear colourless liquidSweet very slight carmellic aroma

FEMA

4480 | PROPYL LEVULINATE

Lagerbedingungen

Sealed in dry,Room Temperature

Aggregatzustand

clear liquid

Farbe

Colorless to Almost colorless

Geruch

sweet caramellic

Geruchsart

caramellic

JECFA Number

1971

InChI

InChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3

InChIKey

QOSMNYMQXIVWKY-UHFFFAOYSA-N

SMILES

C(OCCC)(=O)CCC(=O)C

LogP (Verteilungskoeffizient)

0.93

CAS Datenbank

645-67-0

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard Classes and Categories

Skin Irrit. 2 (100%)

Zollcode

2918.30.9000