Basic information
- CAS
56000-16-9- Standard SMILES
CCCCCCCC/C=C\CCCCCCC=C1OC(=O)C1CCCCCC/C=C\CCCCCCCC- InChIKey
YOZPNLKELYIIKS-DCUHBOJDSA-N- Molecular formula
- C36H64O2
- Average molar mass
- 528.9 g/mol
- Monoisotopic mass
- 528.49063128
Names & identifiers
- Preferred name
- 2-Oxetanone, 4-(8Z)-8-heptadecen-1-ylidene-3-(7Z)-7-hexadecen-1-yl-
- IUPAC
- 4-[(Z)-heptadec-8-enylidene]-3-[(Z)-hexadec-7-enyl]oxetan-2-one
Names & synonyms
EINECS 259-939-12-Oxetanone, 4-(8Z)-8-heptadecenylidene-3-(7Z)-7-hexadecenyl-(,Z,Z)-4-(Heptadec-8-enylidene)-3-(hexadec-7-enyl)oxetan-2-one2-Oxetanone, 4-(8Z)-8-heptadecen-1-ylidene-3-(7Z)-7-hexadecen-1-yl-RefChem:4775744-(8Z)-8-Heptadecen-1-ylidene-3-(7Z)-7-hexadecen-1-yl-2-oxetanone259-939-156000-16-9SCHEMBL2015658YOZPNLKELYIIKS-DCUHBOJDSA-N
Database identifiers
- CAS
56000-16-9- PubChem CID
- 6436618
- EC Number
- 259-939-1
Properties
Computed structural properties
- XLogP
- 15.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 28
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
Physical DescriptionLiquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
2-Oxetanone, 4-(8Z)-8-heptadecen-1-ylidene-3-(7Z)-7-hexadecen-1-yl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Oxetanone, 4-(8Z)-8-heptadecen-1-ylidene-3-(7Z)-7-hexadecen-1-yl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesSizing agent
General Manufacturing Information
Paper Manufacturing
2-Oxetanone, 4-(8Z)-8-heptadecen-1-ylidene-3-(7Z)-7-hexadecen-1-yl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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