(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one

Basic Information

View in Editor

CAS Number

564-20-5

Molecular Formula

C16H26O2

Molecular Weight

250.38 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

124-126 °C

Boiling Point

321.4 °C at 760 mmHg

Density

1.0090

Flash Point

132.4 °C

Solubility

Insoluble in water and oils; soluble in acetone and toluene

Refractive Index

1.489

Specific Rotation

47 º(c=2, chloroform)

SMILES

View in Editor

O=C1C[C@@]2([H])[C@](CC[C@@]3([H])C(C)(C)CCC[C@@]32C)(C)O1

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

LogP

3.934600000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

387

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

(3ar)-(+)-sclareolide
Sclareolide
Clary sage lactone
clareolide
(3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
Naphtho[2,1-b]furan-2(1H)-one,decahydro-3a,6,6,9a-tetramethyl-, (3aR,5aS,9aS,9bR)-
SCLAREOLIDE(AS)
SCLAREOLIDE(P)
AMMoniuM citrate dibasic
(+)-Norambreinolide
Decahydro tetramentyl naphtho-furanone
[3aR-(3aalpha,5abeta,9aalpha,9bbeta)]Decahydro-3a,6,6,9a-tetramethylnaphth[2,1-b]furan-2(1H)-one
Norambreinolide
(+)-sclareolide
MLS001173371
37W4O0O6E6
12-Norambreinolide
SMR000538921
Decahydrotetramethylnaphthofuranone
Norambreinolide, (+)-
PubChem18253
Sclareolide(Norambreinolide)
DSSTox_RID_82502
DSSTox_CID_27686
DSSTox_GSID_47686
(3a,R)-(+)-Sclareolide
Sclareolide (Norambreinolide)
Scl
Norambreinolide (6CI,7CI),(+)-Norambreinolide,(+)-Sclareolide,(3αR)-(+)-Sclareolide,(R)-(+)-Sclareol...

MDL Number

MFCD00134168

FAQ

What is (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one (CAS: 564-20-5)?

This compound, with the CAS number 564-20-5, is a complex organic molecule classified as a substituted furanone. It contains a decahydronaphtho[2,1-b]furan core with four methyl groups and a ketone functional group. It is known for its stability and is commonly used in specialized chemical applications. Its molecular formula is C14H22O, and it exhibits characteristics typical of oxygen-containing heterocyclic compounds, making it relevant in pharmaceutical and research contexts.

What are the main uses of (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one (CAS: 564-20-5)?

The compound (CAS: 564-20-5) is primarily utilized as a pharmaceutical intermediate and in research for drug development. It may also find applications in industrial chemistry, such as polymer synthesis or specialty chemical manufacturing. Its unique structure makes it valuable for creating derivatives with specific biological activities, though specific applications depend on further chemical modification and testing.

Is (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one (CAS: 564-20-5) safe?

Safety of (CAS: 564-20-5) depends on proper handling and exposure limits. While it is generally considered safe in controlled environments, precautions should be taken to avoid inhalation, skin contact, or ingestion. Protective measures include using gloves, goggles, and ensuring adequate ventilation. Always follow safety data sheets (SDS) and regulatory guidelines for its use and disposal.

How should (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one (CAS: 564-20-5) be stored?

This compound (CAS: 564-20-5) should be stored in a cool, dry place away from light and moisture. Use airtight, sealed containers to maintain stability and prevent degradation. It is typically stable under normal storage conditions but should be kept in a controlled environment to ensure long-term integrity. Avoid exposure to air and heat to preserve its chemical properties.