(2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one | CAS No. 29461-14-1

(2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one

Basic Information

CAS Number

29461-14-1

Molecular Formula

C15H24O

Molecular Weight

220.36 g/mol

AD

Basic Physical Properties

Melting Point

35°C

Boiling Point

286.8 °C at 760 mmHg

Density

1

Flash Point

119.7 °C

Refractive Index

1.498-1.503

CC1(CCC(=O)C2C13CCC(C3)C2(C)C)C

InChI

InChI=1S/C15H24O/c1-13(2)7-6-11(16)12-14(3,4)10-5-8-15(12,13)9-10/h10,12H,5-9H2,1-4H3/t10-,12?,15-/m0/s1

InChIKey

VCOCESNMLNDPLX-BTXGZQJSSA-N

LogP

3.818000000000003

Topological Polar Surface Area

17.07 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

352

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (3S,6S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one
  • 5916QUE93V
  • Isolongifolene ketone
  • H11424
  • Isolongifolanone
  • AKOS016010150
  • Isolongifolanone- parent
  • 33407-62-4
  • 29461-14-1
  • EINECS 245-890-3
  • UNII-5916QUE93V
  • rel-(2S,4aS)-1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
  • NS00083799
  • (2S,4aS)-1,1,5,5-Tetramethylhexahydro-1H-2,4a-methanonaphthalen-8(2H)-one
  • 2H-2,4a-Methanonaphthalen-8(5H)-one,hexahydro-1,1,5,5-tetramethyl-,(2r,4ar,8as)-rel-
  • 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2alpha,4aalpha,8abeta)-
  • 2,2,7,7-Tetramethyltricyclo(6.2.1.0(1,6))-undecan-5-one
  • (2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one
  • Q27261635
  • 2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2R,4aR,8aR)-rel-
  • SCHEMBL9911918
  • 2,2,7,7-Tetramethyltricyclo<6.2.1.03.8>-undecan-4-on
  • 8-Oxo-6-methyl-5-phenyl-8H-imidazo-<5.1-c><1.4>oxazin
  • Picomate
  • Valanone b

MDL Number

MFCD00169838

FAQ

What is (2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one (CAS: 29461-14-1)?

(2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one is a secondary alcohol with a unique structure, characterized by tetramethyl groups and a methanonaphthalene ring system. It is a colorless crystalline solid with a molecular weight of approximately 228.24 g/mol.

What are the main uses of (2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one (CAS: 29461-14-1)?

This compound is primarily used in the synthesis of pharmaceuticals, particularly as an intermediate in the production of anti-inflammatory and analgesic drugs. It also finds applications in the formulation of certain food additives and as a research tool in organic chemistry.

Is (2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one (CAS: 29461-14-1) safe?

The compound is generally safe when handled with appropriate precautions. It should be stored away from combustible materials and avoid contact with heat, open flames, or oxidizing agents. Personal protective equipment such as gloves and safety glasses should be worn during handling.

How should (2S,4aS)-1,1,5,5-tetramethylhexahydro-2H-2,4a-methanonaphthalen-8(5H)-one (CAS: 29461-14-1) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container made of glass or other appropriate materials. Avoid exposure to humidity and maintain a temperature no higher than 25°C for optimal stability.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...