5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol

Basic Information

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CAS Number

1365-19-1

Molecular Formula

C10H18O2

Molecular Weight

170.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

188 ºC

Flash Point

63 ºC

Refractive Index

1.440-1.460

SMILES

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CC(=CCCC(C)(C1CO1)O)C

InChI

InChI=1S/C10H18O2/c1-5-10(4,11)7-6-8-9(2,3)12-8/h5,8,11H,1,6-7H2,2-4H3

InChIKey

SATQWIIUJKWZNO-UHFFFAOYSA-N

LogP

1.881

Topological Polar Surface Area

32.76 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

182

Synonyms & References

English

Linalool, oxide
FT-0627861
UNII-4UJJ55KMCS
SCHEMBL891431
AS-56588
Linalool, epoxydihydro-
DTXSID00859631
6-methyl-2-(oxiran-2-yl)hept-5-en-2-ol
.alpha.-Methyl-.alpha.-[4-methyl-3-pentenyl]oxiranemethanol
1365-19-1
6-Methyl-2-(2-oxiranyl)-5-hepten-2-ol #
3,7-DIMETHYL-1,2-EPOXY-3-HYDROXY-6-OCTENE
4UJJ55KMCS
FEMA No. 3746
EINECS 215-723-9
BXOURKNXQXLKRK-UHFFFAOYSA-N
AKOS025295522
Linalool oxide (5-ring)
NS00012788
LINALOOL OXIDE
Epoxydihydrolinalool
2-Methyl-2-Vinyl-5-(a-hydroxy-isopropyl)-tetrahydrofunan
5β-Ethenyltetrahydro-α,α,5-trimethylfuran-2α-methanol
5β-Ethenyltetrahydro-α,α,5-trimethyl-2α-furanmethanol
(2R,5R)-α,α,5-Trimethyl-5-vinyltetrahydrofuran-2-methanol
(2S)-α,α,5-Trimethyl-5β-ethenyltetrahydrofuran-2α-methanol
(2S,5S)-α,α,5-Trimethyl-5β-vinyltetrahydrofuran-2α-methanol
1-[[(2R,5R)-5-Methyl-5-vinyltetrahydrofuran]-2-yl]-1-methylethanol

MDL Number

MFCD00053543

FAQ

What are the physical and chemical properties of 5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol (CAS: 1365-19-1)?

5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol (CAS 1365-19-1) is a colorless liquid with a molecular weight of 158.25 g/mol. It has a density of 0.918 g/cm³ and is soluble in ethanol and acetone but not in water. This compound is known for its reactive nature, particularly due to the presence of the oxirane ring, which can undergo ring-opening reactions under basic conditions.

How is 5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol (CAS: 1365-19-1) typically synthesized?

5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol is commonly synthesized via the ring-opening reaction of 3,3-dimethyl-2-oxirane with 3-methyl-1-penten-3-ol. This process often requires a basic catalyst such as sodium hydroxide, with an overall yield of up to 90%. The reaction requires controlled temperature and pH conditions to achieve high selectivity and yield.

What industries use 5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol (CAS: 1365-19-1)?

5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol (CAS 1365-19-1) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules and in the polymer industry for the modification of polymers. It is also used in the production of sensors and semiconductors due to its reactive properties and ability to form stable complexes.

What precautions should be taken when handling 5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol (CAS: 1365-19-1)?

When handling 5-(3,3-Dimethyl-2-oxiranyl)-3-methyl-1-penten-3-ol (CAS 1365-19-1), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a closed container away from heat and light. Handling should be conducted in a well-ventilated area or fume hood to prevent inhalation. In case of spill, handle with care and refer to the Material Safety Data Sheet (MSDS) for specific spill cleanup procedures.