Furfuryl octadecanoate
Basic information
- CAS
95668-37-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCc1ccco1- InChIKey
LLZYPXWKSIVVJP-UHFFFAOYSA-N- Molecular formula
- C23H40O3
- Average molar mass
- 364.6 g/mol
- Monoisotopic mass
- 364.29774513
Names & identifiers
- Preferred name
- Furfuryl octadecanoate
- IUPAC
- furan-2-ylmethyl octadecanoate
- English name
- FURFURYL OCTADECANOATE
- Molecular formula
- C23H40O3
- Molecular weight
- 364.56
Names & synonyms
FURFURYL OCTADECANOATE95668-37-4RefChem:607810661-214-3Furan-2-ylmethyl stearateSCHEMBL30152028AKOS024433564stearic acid furfuryl esterOctadecanoic acid, 2-furanylmethyl ester
Database identifiers
- CAS
95668-37-4- PubChem CID
- 4166251
- EC Number
- 661-214-3
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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