1-Octen-3-one | CAS No. 4312-99-6

1-Octen-3-one

Basic Information

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CAS Number

4312-99-6

Molecular Formula

C8H14O

Molecular Weight

126.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

60°C/16mmHg

Refractive Index

n20/D 1.432-1.438

SMILES

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C=CC(CCCCC)=O

InChI

InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3

InChIKey

KLTVSWGXIAYTHO-UHFFFAOYSA-N

LogP

2.3218000000000005

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

94.7

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

1-Octen-3-one
n-Amyl vinyl ketone~n-Pentyl vinyl ketone
Oct-1-en-3-one
3-oxo-1-octene
Amyl vinyl ketone
EINECS 224-327-5
FEMA No. 3515
n-amyl vinyl ketone
n-pentyl vinyl ketone
Pentyl Vinyl Ketone
Vinyl amyl ketone
Amyl vinylketone
1-octene-3-one
7LT7Z4Q9XR
KLTVSWGXIAYTHO-UHFFFAOYSA-N
Octen-3-one, 1
DSSTox_CID_27162
DSSTox_RID_82163
DSSTox_GSID_47162
KSC236C1F
FEMA 3515
1-
1-Octen-3-one, analytical standar
Amyl Vinyl Ketone
Pentyl vinyl ketone
n-Amyl vinyl ketone

MDL Number

MFCD00036558

Customs Code

2914190090

FAQ

What is 1-Octen-3-one (CAS: 4312-99-6)?

1-Octen-3-one is a cyclic ketone with the chemical formula C8H14O. It is a colorless to pale yellow liquid with a distinctive scent. Commonly used in fragrance and flavor industries due to its aroma.

What are the main uses of 1-Octen-3-one (CAS: 4312-99-6)?

1-Octen-3-one is widely used in the fragrance and flavor industry, providing a green note in perfumes. It is also utilized in the synthesis of other chemical compounds and as a food additive due to its natural aroma.

Is 1-Octen-3-one (CAS: 4312-99-6) safe?

1-Octen-3-one is generally considered safe for use in food and fragrances when used as directed. However, it should be handled with care to avoid skin and eye contact. Proper ventilation and protective clothing are recommended.

How should 1-Octen-3-one (CAS: 4312-99-6) be stored?

1-Octen-3-one should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent moisture absorption. Maintain a temperature below 30°C and avoid contact with incompatible materials.