Isopropyl dodecanoate
- IUPAC name
- propan-2-yl dodecanoate
- Molecular formula
- C15H30O2
- Molecular weight
- 242.40 g/mol
- Exact mass
- 242.224580195 Da
- XLogP3
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 2
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:89676
- EPA DTXSID:DTXSID3041904
Evidence from additional scientific databases
EMBL-EBI ChEBI
isopropyl dodecanoate
A fatty acid ester obtained by the formal condensation of carboxy group of dodecanoic acid with propan-2-ol. A metabolite found in human saliva.
- Formula
- C15H30O2
- Average mass
- 242.403 g/mol
- Monoisotopic mass
- 242.22458 Da
- Formal charge
- 0
- fatty acid ester — is a (CHEBI:35748)
- isopropyl ester — is a (CHEBI:35725)
- human metabolite — has role (CHEBI:77746)
- dodecanoic acid — has functional parent (CHEBI:30805)
- human metabolite — has role (CHEBI:77746)
- fatty acid ester — is a (CHEBI:35748)
- isopropyl ester — is a (CHEBI:35725)
Additional curated names
Cross-references from this source
- CAS: 10233-13-3 — ChemIDplus
- CAS: 10233-13-3 — NIST Chemistry WebBook
- MANUAL_X_REF: 56S — PDBeChem
- MANUAL_X_REF: HMDB0059820 — HMDB
- MANUAL_X_REF: LMFA07010674 — LIPID MAPS
- MANUAL_X_REF: US6955818 — Patent
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2021-05-28. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Note: This chemical does not meet GHS hazard criteria for 100% (196 of 196) of all reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: Not Classified; Reported as not meeting GHS hazard criteria by 196 of 196 companies. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 196 reports by companies from 1 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 196 of 196 reports by companies.; There are 0 notifications provided by 0 of 196 reports by companies with hazard statement code(s).; 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. Source: European Chemicals Agency (ECHA)
- Cosmetic Ingredient Review Conclusion: The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating. Source: Cosmetic Ingredient Review (CIR)
- Cosmetic Ingredient Review Finding(s): Safe for use in cosmetics, with qualifications Source: Cosmetic Ingredient Review (CIR)
- Consumer Uses: Intermediate Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Lubricating agent; Intermediate Source: EPA Chemical Data Reporting (CDR)
- Cosmetic Ingredient Review Link: CIR ingredient: Isopropyl Laurate Source: Cosmetic Ingredient Review (CIR)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.