(4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan

Basic Information

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CAS Number

6989-21-5

Molecular Formula

C15H20O

Molecular Weight

216.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Soild

Melting Point

61-63 ºC

Boiling Point

287.1±19.0 ºC (760 Torr),

Density

1.02±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

121.7±8.3 ºC,

SMILES

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CC1=COC2=C1CC3C(=C)CCCC3(C2)C

InChI

InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1

InChIKey

TYPSVDGIQAOBAD-DZGCQCFKSA-N

LogP

4.049220000000003

Topological Polar Surface Area

13.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

309

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

A866723
C16919
Atractylon
MFCD00210477
s9158
AC-34104
CHEMBL486189
Q27149840
Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)-
SCHEMBL19082783
6989-21-5
Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR)-
CHEBI:80796
FS-7477
Atractyloxide
BDBM50241938
AKOS016013441
Atractylone
(4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran
HY-N2095
DTXSID50220170
(4AS,8AR)-3,8A-DIMETHYL-5-METHYLIDENE-4H,4AH,5H,6H,7H,8H,8AH,9H-NAPHTHO[2,3-B]FURAN
Atractylol
CS-0018600
Atractyline(Discontinued)(Sh)
(4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
CCG-266696
ATRACTYLINE(DISCONTINUED)(SH)
(4aS)-4,4aα,5,6,7,8,8a,9-Octahydro-3,8aβ-dimethyl-5-methylenenaphtho[2,3-b]furan
Naphtho[2,3-b]furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-diMethyl-5-Methylene-, (4aS,8aR)-
(4aS,8aR)-4,4a,5,6,7,8,8a,9-Octahydro-3,8a-dimethyl-5-methylene-naphtho[2,3-b]furan

MDL Number

MFCD00210477

FAQ

What regulatory guidelines apply to (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5)?

The compound (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5) should comply with the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Specific GHS categories include acute toxicity, flammability, and skin irritation. REACH registration is required for manufacturers and importers, while FDA and EPA regulations may apply based on intended use.

Are there alternatives to (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5) in synthesis?

Alternatives to (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5) include similar heterocyclic compounds like tetrahydrofuran derivatives or isomers with different functional groups. Common alternative reagents include methyl vinyl ketone or other vinyl ketones, which can be used in analogous syntheses.

What is the market or research trend for (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5)?

The market for (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5) shows increasing interest in its use as a precursor for pharmaceutical intermediates. Research trends focus on its potential applications in drug discovery and synthesis of biologically active compounds. Market trends indicate steady demand with occasional spikes due to new applications and patents.

How should waste containing (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5) be handled?

Waste containing (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan (CAS: 6989-21-5) should be collected and disposed of according to local regulations. Typically, this involves neutralization or incineration in a licensed facility. Environmental protection measures include proper waste storage and handling to prevent spills and ensure worker safety. Compliance with EPA and OSHA guidelines is essential for safe waste disposal.