(3E)-6-Methyl-3,5-heptadien-2-one

Basic Information

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CAS Number

1604-28-0

Molecular Formula

C8H12O

Molecular Weight

124.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

95-96°C 20mm

Water Solubility

Miscible with alcohol. Immiscible with water.

Flash Point

95-96°C/20mm

Refractive Index

1.5340

SMILES

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

InChI

InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4+

InChIKey

KSKXSFZGARKWOW-GQCTYLIASA-N

LogP

2.0978000000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

148

Synonyms & References

English

CS-W013522
6-Methyl-trans-3,5-heptadien-2-one
LS-13453
(E)-6-Methyl-3,5-heptadien-2-one
FEMA No. 3363
6-Methyl-hepta-3,5-diene-2-one
P7CMP2E76C
(3E)-6-methylhepta-3,5-dien-2-one
6-Methyl-3E,5-heptadien-2-one
UNII-P7CMP2E76C
2-methyl-2,4-heptadien-6-one
SCHEMBL873402
AKOS006228383
Methylheptadienone
3,5-Heptadien-2-one, 6-methyl-, (E)-
AS-40180
METHYL HEPTADIENONE
6-Methyl-3,5-heptadienone-2
(3E)-6-Methyl-3,5-heptadien-2-one
(E)-6-Methyl-3,5-heptadienone
6-Methylhepta-3,5-dien-2-one
6-methyl-(E)-3,5-heptadien-2-one
(E)-6-methylhepta-3,5-dien-2-one
CHEBI:195676
AI3-25071
KSKXSFZGARKWOW-GQCTYLIASA-N
16647-04-4
2-Methylhepta-2,4-dien-6-one
J-009720
LMFA12000038
1604-28-0

MDL Number

MFCD00043647

FAQ

What is (3E)-6-Methyl-3,5-heptadien-2-one (CAS: 1604-28-0)?

(3E)-6-Methyl-3,5-heptadien-2-one is an organic compound with the CAS number 1604-28-0. It has the molecular formula C9H12O and is a cyclic ketone with a conjugated system of double bonds. This compound is known for its characteristic odor and is used in various applications such as fragrance and flavoring agents in the food and cosmetic industries.

What are the main uses of (3E)-6-Methyl-3,5-heptadien-2-one (CAS: 1604-28-0)?

(3E)-6-Methyl-3,5-heptadien-2-one (CAS: 1604-28-0) is primarily used as a fragrance and flavoring agent in the food and cosmetic industries due to its distinctive scent. It also finds applications in the pharmaceutical sector as a precursor in the synthesis of other organic compounds.

Is (3E)-6-Methyl-3,5-heptadien-2-one (CAS: 1604-28-0) safe?

(3E)-6-Methyl-3,5-heptadien-2-one (CAS: 1604-28-0) is generally considered safe for industrial and consumer use. However, it should be handled with care to avoid skin and eye contact. Proper protective measures, such as gloves and goggles, are recommended to ensure safety during handling and use.

How should (3E)-6-Methyl-3,5-heptadien-2-one (CAS: 1604-28-0) be stored?

(3E)-6-Methyl-3,5-heptadien-2-one (CAS: 1604-28-0) should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to store it in a tightly sealed container to prevent degradation. The storage temperature should not exceed 25°C to ensure the stability of the compound.