2,6-Dimethyl-2,5-heptadien-4-one

Basic Information

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CAS Number

504-20-1

Molecular Formula

C9H14O

Molecular Weight

138.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

23-26 ºC

Boiling Point

198-199 ºC

Flash Point

79 ºC

Refractive Index

1.497

Vapor Pressure

0.38 mm Hg ( 20 °C)

Specific Rotation

1.497

SMILES

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

InChI

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

InChIKey

MTZWHHIREPJPTG-UHFFFAOYSA-N

LogP

2.4879000000000007

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

157

Safety Information

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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

2 pound not6-dimethyl-5-heptadien-4-one
Q612199
Diisobutenyl ketone
AKOS015841777
NSC 38718
EN300-125149
2,5-heptadien-4-one
A871568
2,6-dimethyl-hepta-2,5-dien-4-one
FT-0698485
2,6-Dimethyl-2,5-heptadien-4-one
Phoron [German]
CCRIS 4350
NS00022246
SY026937
Phoron
diisopropylideneacetone
2,6-Dimethylhepta-2,5-dien-4-one
WLN: 1Y1&U1V1UY1&1
F12420
DTXCID101584
dimethylsuberate
NSC-403517
PHORONE [MI]
BRN 1699751
PHORONE
AMY13323
504-20-1
NSC-38718
DTXSID1021584
CAS-504-20-1

MDL Number

MFCD00008901

Customs Code

2914190090

FAQ

What is 2,6-Dimethyl-2,5-heptadien-4-one (CAS: 504-20-1)?

2,6-Dimethyl-2,5-heptadien-4-one, also known as methyl cedrat, is an organic compound with the CAS number 504-20-1. It has a molecular formula of C9H12O2 and is a colorless to light yellow liquid with a pungent odor.

What are the main uses of 2,6-Dimethyl-2,5-heptadien-4-one (CAS: 504-20-1)?

2,6-Dimethyl-2,5-heptadien-4-one is primarily used in the production of synthetic musks and fragrances. It is also used in the pharmaceutical industry as a raw material for the synthesis of other compounds. Additionally, it is utilized in cosmetics and as a solvent in certain applications.

Is 2,6-Dimethyl-2,5-heptadien-4-one (CAS: 504-20-1) safe?

2,6-Dimethyl-2,5-heptadien-4-one is generally considered safe when handled properly. However, it may cause skin irritation and should be used with appropriate personal protective equipment (PPE) such as gloves and goggles. Proper ventilation and handling in a fume hood are recommended to avoid inhalation risks.

How should 2,6-Dimethyl-2,5-heptadien-4-one (CAS: 504-20-1) be stored?

2,6-Dimethyl-2,5-heptadien-4-one should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage temperature should be maintained below 30°C to ensure stability and minimize degradation.