3,7-Dimethyl-6-octenal

Basic Information

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CAS Number

8000-29-1

Molecular Formula

C10H18O

Molecular Weight

154.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Physical Properties

Boiling Point

222 °C

Density

0.897 g/mL at 25 °C

Refractive Index

n20/D 1.485(lit.)

SMILES

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

InChI

InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3

InChIKey

NEHNMFOYXAPHSD-UHFFFAOYSA-N

LogP

2.9579000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3.2 Class 3.2

Stability

Stable. Flammable.

Synonyms & References

English

Citronella oil
CITRONELLA OIL(RG)
OIL, CITRONELLA(RG)
Cymbopogon winterianus
Citronellaoil

MDL Number

MFCD00146467

Customs Code

33012920

FAQ

What is 3,7-Dimethyl-6-octenal (CAS: 8000-29-1)?

3,7-Dimethyl-6-octenal (CAS: 8000-29-1) is a volatile organic compound with the molecular formula C10H18O. It is a colorless liquid characterized by a distinct, fruity aroma, commonly used in fragrance and flavor industries. As an aldehyde derivative, it exhibits reactivity typical of carbonyl compounds and is valued for its olfactory properties in chemical synthesis.

What are the main uses of 3,7-Dimethyl-6-octenal (CAS: 8000-29-1)?

3,7-Dimethyl-6-octenal (CAS: 8000-29-1) is primarily used in the food industry as a flavoring agent, mimicking notes of tropical fruits. It also finds applications in pharmaceuticals for drug development, in perfumery for creating aromatic compounds, and in research as a chemical standard for analytical purposes. Its versatility stems from its unique chemical structure and sensory profile.

Is 3,7-Dimethyl-6-octenal (CAS: 8000-29-1) safe?

3,7-Dimethyl-6-octenal (CAS: 8000-29-1) is generally considered safe when handled properly, but it may cause skin or eye irritation upon contact. Inhalation of its vapors should be avoided, and protective equipment like gloves and goggles is recommended. Safety data sheets (SDS) advise caution in industrial settings, emphasizing adherence to OSHA guidelines for safe handling and exposure limits.

How should 3,7-Dimethyl-6-octenal (CAS: 8000-29-1) be stored?

3,7-Dimethyl-6-octenal (CAS: 8000-29-1) should be stored in a cool, dry place, away from direct light and heat sources. Keep in tightly sealed, inert containers such as glass or stainless steel to prevent degradation. Maintain low humidity levels to avoid hydrolysis, and ensure proper labeling to comply with chemical storage safety standards.