Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 221069Generated: November 2, 2026

Propyl levulinate

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

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

Propyl levulinate molecular structure

Identifiers & Physical Properties

CAS No.645-67-0
Molecular formulaC8H14O3
Average molar mass158.19 g/mol
Monoisotopic mass158.0942943 g/mol
SMILESCCCOC(=O)CCC(C)=O
InChIKeyQOSMNYMQXIVWKY-UHFFFAOYSA-N
PubChem CID221069
ChEBICHEBI:173677
EC No.110-435-9
DTXSIDDTXSID70214753

Chemical & Physical Properties

XLogP0.6
Topological polar surface area43.4
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds6
Heavy atoms11
Formal charge0
Complexity140
SpringerMaterials PropertiesBoiling point
Food additivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.989-0.995 (20 °C)0.9896
SolubilityPractically insoluble or insoluble in waterSoluble (in ethanol)Chloroform (Slightly), Methanol (Slightly)
Boiling point220.00 to 221.00 °C. @ 760.00 mm Hg220-221 °C218°C (estimate)
Refractive index1.419-1.4251.4258
Physical DescriptionClear colourless liquidSweet very slight carmellic aroma
FEMA4480 | PROPYL LEVULINATE
Storage conditionsSealed in dry,Room Temperature
Physical stateclear liquid
ColorColorless to Almost colorless
Odorsweet caramellic
Odor typecaramellic
JECFA Number1971
InChIInChI=1S/C8H14O3/c1-3-6-11-8(10)5-4-7(2)9/h3-6H2,1-2H3
InChIKeyQOSMNYMQXIVWKY-UHFFFAOYSA-N
SMILESC(OCCC)(=O)CCC(=O)C
LogP (partition coefficient)0.93
CAS DataBase Reference645-67-0
Substances Added to Food (formerly EAFUS)PROPYL LEVULINATE
FDA UNIIV2C79957U4
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Customs code2918.30.9000

Safety & Regulations

GHS classificationWarningH315 (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 CategoriesSkin Irrit. 2 (100%)
Customs code2918.30.9000
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P301+P312-P302+P352-P304+P340-P305+P351+P338