
- IUPAC name
- methyl non-2-ynoate
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23 g/mol
- Exact mass
- 168.115029749 Da
- XLogP3
- 3.7
- 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:51749
- ChEMBL:CHEMBL3185173
- EPA DTXSID:DTXSID3047639
- PubMed:33301901
- PubMed:21920952
- PubMed:20491607
- PubMed:16876981
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 121.00 to 122.00 °C. @ 20.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 121-122 °C (20 mm Hg) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.913-0.916 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless oily liquid; Peach, violet aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.445-1.451 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble in oils; Insoluble in water Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (74.8%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (97.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H400 (74.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H412 (74.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1828 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; 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)
- Signal: Warning Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H317: May cause an allergic skin reaction [Warning Sensitization, Skin] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Precautionary Statement Codes: P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement) Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Consumer Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
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 |
|---|---|---|
| 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 2026-09-02 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.