Basic information
- CAS
1216-84-8- Standard SMILES
CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12- InChIKey
IMKJGXCIJJXALX-UHFFFAOYSA-N- Molecular formula
- C16H26O2
- Average molar mass
- 250.38 g/mol
- Monoisotopic mass
- 250.19328007
Overview
See also: (+)-Sclareolide (annotation moved to).
Names & identifiers
- Preferred name
- Decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one
- IUPAC
- 3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
- English name
- decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one
- Molecular formula
- C16H26O2
- Molecular weight
- 250.38
Names & synonyms
1216-84-8EINECS 214-933-8Decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-oneDecahydro-3a,6,6,9a-tetramethylnaphtho(2,1-b)furan-2(1H)-oneNaphtho(2,1-b)furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-1-Naphthaleneacetic acid, decahydro-2-hydroxy-2,5,5,8a-tetramethyl-, gamma-lactoneNaphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-RefChem:585310214-933-8NorambreinolideNorambreinolid(+)-Norambreinolide
Show more names
Perilla lactone (racemic)3a,4,5,5a,6,7,8,9,9a,9b-Decahydro-3a,6,6,9a-tetramethylnaphtho[2,1-b]furan-2(1H)-one
3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-oneDecahydrotetramethylnaphthofuranoneNaphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-Norambreinolide dormSclareolide [M+H]+orb1304866SCHEMBL1094480
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
Boiling Point320.00 to 321.00 °C. @ 760.00 mm Hg
Melting Point122 - 125 °C
Physical DescriptionSolid
Physicochemical properties
- InChI
- InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3
- InChIKey
- IMKJGXCIJJXALX-UHFFFAOYSA-N
- SMILES
- O1C(=O)CC2C3(C)C(C(C)(C)CCC3)CCC12C
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
This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.
Not Classified
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Naphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesPerilla lactone is mainly used in the synthesis of natural ambergris substitutes, and in smaller quantities is also used in the formulation of fragrances.
Suppliers3 total
北京桦冠医药科技有限公司17302533743 · [email protected]
汉瑞药业(荆门)有限公司13618667608 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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