(1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene | CAS No. 87-44-5

Q: What is (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5)?

This compound, with the CAS number 87-44-5, is a bicyclic terpene derivative characterized by its unique structure containing two cyclohexane rings and a methyl group. It is an unsaturated hydrocarbon with a molecular formula of C13H22 and exhibits specific physical and chemical properties, including a high melting point and low solubility in water.

Q: What are the main uses of (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5)?

The compound is primarily used in pharmaceutical research as a potential precursor for drug development. It also finds applications in organic synthesis and as a component in specialized industrial processes. Due to its complex structure, it may be relevant in research involving natural products and bioactive compounds.

Q: Is (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5) safe?

Safety of this compound depends on its handling and exposure conditions. It is generally considered safe when used in controlled laboratory settings, but precautions should be taken to avoid inhalation, skin contact, and ingestion. Proper protective equipment, such as gloves and a fume hood, is recommended for safe handling.

Q: How should (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5) be stored?

This compound should be stored in a tightly sealed container, away from light and moisture. It is best kept at a cool temperature, ideally below 25°C, to maintain stability. Storage in a well-ventilated area is also recommended to prevent any potential buildup of volatile components.

(1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

Basic Information

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CAS Number

87-44-5

Molecular Formula

C15H24

Molecular Weight

204.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Physical State

Oil

Melting Point

<25°C

Boiling Point

262-264 °C

Density

0.902 g/mL at 20 °C

Solubility

less than 1 mg/mL at 70° F (NTP, 1992)

Refractive Index

n20/D 1.499

Specific Rotation

D -8 to -9° (chloroform)

SMILES

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C\C1=C/CCC(=C)[C@H]2CC(C)(C)[C@@H]2CC1

InChI

InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1

InChIKey

NPNUFJAVOOONJE-GFUGXAQUSA-N

LogP

4.7252000000000045

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

293

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

Caryophyllene
1-caryophyllene
2-Methylene-6,10,10-trimethyl bicyclo[7.2.0]undec-5-ene
8-methylene-4,11,11-(trimethyl)bicyclo[7.2.0]undec-4-ene
beta-caryophyllene
(-)-beta-caryophyllene
Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]-
bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, (E)-(1R,9S)-(-)-
bicyclo[7.2.0]undec-4-ene, 8-methylene-4,11,11-trimethyl-, (E)-(1R,9S)-(-)-
(-)-caryophyllene
trans-caryophyllene
(-)-trans-caryophyllene
β-Caryophyllene
(−)-trans-Caryophyllene
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
B-Caryophyllene Fcc
CARYOPHYLLENE, (-)-trans-(AS)
(-)-(E)-Caryophyllene
(−)-β-caryophyllene
trans-beta-Caryophyllene
beta-Caryophyllen
(1R,4E,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
β-石竹烯
Dianthus
β-caryophyllen
(E)-Caryophyllene
L-Caryophyllene
b-caryophyllene
.beta.-Caryophyllen
.beta.-Caryophyllene
(E)-beta-caryophylene

MDL Number

MFCD00075925

Customs Code

2902199090

FAQ

What is (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5)?

This compound, with the CAS number 87-44-5, is a bicyclic terpene derivative characterized by its unique structure containing two cyclohexane rings and a methyl group. It is an unsaturated hydrocarbon with a molecular formula of C13H22 and exhibits specific physical and chemical properties, including a high melting point and low solubility in water.

What are the main uses of (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5)?

The compound is primarily used in pharmaceutical research as a potential precursor for drug development. It also finds applications in organic synthesis and as a component in specialized industrial processes. Due to its complex structure, it may be relevant in research involving natural products and bioactive compounds.

Is (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5) safe?

Safety of this compound depends on its handling and exposure conditions. It is generally considered safe when used in controlled laboratory settings, but precautions should be taken to avoid inhalation, skin contact, and ingestion. Proper protective equipment, such as gloves and a fume hood, is recommended for safe handling.

How should (1R,9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (CAS: 87-44-5) be stored?

This compound should be stored in a tightly sealed container, away from light and moisture. It is best kept at a cool temperature, ideally below 25°C, to maintain stability. Storage in a well-ventilated area is also recommended to prevent any potential buildup of volatile components.