6,6-Dimethyl-1-hepten-4-yn-3-ol

Basic Information

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CAS Number

78629-20-6

Molecular Formula

C9H14O

Molecular Weight

72.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

187 ºC

Density

0.900

Flash Point

73 ºC

SMILES

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CC(C)(C)C#CC(C=C)O

InChI

InChI=1S/C9H14O/c1-5-8(10)6-7-9(2,3)4/h5,8,10H,1H2,2-4H3

InChIKey

MOWPBNFGGOHZRW-UHFFFAOYSA-N

LogP

0.5531999999999999

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

172

Synonyms & References

English

FT-0641686
BS-52132
NS00004264
3-hydroxy-6,6-dimethyl-1-heptene-4-yne
3-hydroxy-6,6-dimethylhept-1-ene-4-yne
78629-20-6
6,6-dimethyl-hept-1-en-4-yn-3-ol
AKOS006292952
EC 616-644-6
3-Hydroxy-6,6-dimethyl-1-hepten-4-yne
1-Hepten-4-yn-3-ol, 6,6-dimethyl-
CS-0188437
E77199
SCHEMBL5309032
6,6-dimethylhept-1-en-4-yn-3-ol
A839464
3-hydroxy-6,6-dimethyl-hept-1-ene-4-yne
3-hydroxy-6,6-dimethylhept-1 -ene-4-yne
DTXSID60450345
MOWPBNFGGOHZRW-UHFFFAOYSA-N
6,6-Dimethylhept-1-en-4-yn-3-ol
6,6-DIMETHYL-1-HEPTEN-4-YN-3-OL
6,6-DIMETHYLL-1-HEPTANE-4-YN-3-OL
6,6-dimethyl-1-heptene-4-yne-3-ol
6,6-dimethyl-3-hept-1-en-4-ynol
6,6-dimethyl-hept-1-ene-4-yn-3-ol
6,6-dimethyl-hept-1-ene-4-yne-3-ol
6,6-Dimethylhept-1-ene-4-yne-3-ol

MDL Number

MFCD04974030

Customs Code

2942000000

FAQ

What is 6,6-Dimethyl-1-hepten-4-yn-3-ol (CAS: 78629-20-6)?

6,6-Dimethyl-1-hepten-4-yn-3-ol is an organic compound with the CAS number 78629-20-6. It is a cyclic alcohol with a heptenyl group, a terminal alkyne, and a methylene bridge. This compound has a characteristic odor and is used in various applications due to its unique structure and properties.

What are the main uses of 6,6-Dimethyl-1-hepten-4-yn-3-ol (CAS: 78629-20-6)?

6,6-Dimethyl-1-hepten-4-yn-3-ol is primarily used in fragrance and flavor industries due to its pleasant aroma. It also finds applications in the synthesis of other compounds and as a solvent in some laboratory procedures. Additionally, it is used in some personal care products for its scent and stability.

Is 6,6-Dimethyl-1-hepten-4-yn-3-ol (CAS: 78629-20-6) safe?

6,6-Dimethyl-1-hepten-4-yn-3-ol is generally considered safe for industrial and commercial uses when handled properly. However, it should be used with caution due to its volatility and potential for skin irritation. Protective measures include wearing gloves, goggles, and appropriate respiratory protection during handling.

How should 6,6-Dimethyl-1-hepten-4-yn-3-ol (CAS: 78629-20-6) be stored?

6,6-Dimethyl-1-hepten-4-yn-3-ol should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. Keep it in a sealed container to avoid exposure to air and moisture. Store it in a well-ventilated area and ensure that it is not accessible to unauthorized personnel.