Methyl octyne carbonate

Independent reference data for Methyl octyne carbonate (CAS 111-80-8), compiled from public chemistry databases.

Registry identifiers across databases

Computed descriptors

Physicochemical values on record

Documented uses on record

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

Synonyms and trade names

Methyl 2-nonynoate; Methyl non-2-ynoate; 111-80-8; Methyl octine carbonate; 2-Nonynoic acid methyl ester; 2-NONYNOIC ACID, METHYL ESTER; Methyl octyne carbonate; Methyloctyne carboxylate; Methyloctyne carbonate; Octynecarboxylic acid, methyl ester; FEMA No. 2726; DTXSID3047639; 8RN66UR57V; NSC-72102; DTXCID1027639; CHEBI:51749

Regulatory listings held on file

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent

GHS hazard classification

Reported hazard statements	H302 (99.6%), H315 (74.8%), H317 (97.8%), H400 (74.9%), H412 (74.9%)

H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (74.8%): Causes skin irritation [Warning Skin corrosion/irritation]

What the public record says

Methyl octyne carbonate is identified by CAS 111-80-8, molecular formula C10H16O2 and molecular weight 168.12 g/mol. UNII 8RN66UR57V; ChEBI 51749; InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N. Boiling Point: 121.00 to 122.00 °C. @ 20.00 mm Hg; Boiling Point: 121-122 °C (20 mm Hg); Density: 0.913-0.916.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.