2-(phenylmethylidene)octanal

Basic Information

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CAS Number

101-86-0

Molecular Formula

C15H20O

Molecular Weight

216.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

174-176 °C/15 mmHg

Solubility

water: soluble0.005g/L at 25°C

Refractive Index

n20/D 1.55(lit.)

SMILES

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CCCCCCC(=CC1=CC=CC=C1)C=O

InChI

InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3

InChIKey

GUUHFMWKWLOQMM-UHFFFAOYSA-N

LogP

4.239300000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

212

Safety Information

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GHS Hazard Pictograms

H314

H317

H413

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

2-(phenylmethylene)-octanal
(2Z)-2-Hexyl-3-phenyl-2-propenal
alpha-Hexylcinnamaldehyde
2-(phenylmethylene)octanal (.beta.-hexyl cinnamaldehyde)
Tox21_202301
alpha-n-Hexyl-beta-phenylacrolein
alpha-Hexylcinnamaldehyde, technical grade, 85%
2-Benzylideneoctanal
alpha-n-hexylcinnamaldehyde
a-Hexylcinnamaldehyde, 8CI
NSC-406799
alpha-Hexylcinnamyl aldehyde
alpha-hexylcinna-maldehyde
NSC46150
n-Hexyl cinnamaldehyde
alpha-Hexylcinnamaldehyde, analytical reference material
OCTANAL, 2-(PHENYLMETHYLENE)-, (E)-
2-[(E)-benzylidene]octanal
Hexyl cinnamic aldehyde
NSC-46150
2-Hexyl-3-phenyl-2-propenal
2-(Phenylmethylene)octanal, 9CI
2-Hexenyl cynnamaldehyde
2-HEXYL-(E)-CINNAMALDEHYDE
-Hexyl-3-phenyl-propenal
2-(Phenylmethylene)octanal
FEMA 2569
DTXSID4026684
Octanal, 2-(phenylmethylene)-
Cinnamaldehyde, alpha -hexyl-
.alpha.-Hexylcinnamaldehyde

MDL Number

MFCD00006989

Customs Code

2912299000

FAQ

What is 2-(phenylmethylidene)octanal (CAS: 101-86-0)?

2-(phenylmethylidene)octanal is an organic compound with the CAS number 101-86-0. It has the chemical formula C13H18O and is a colorless liquid with a fragrant odor. This compound is known for its aldehyde functional group and is often used in various chemical applications due to its reactivity and structural versatility.

What are the main uses of 2-(phenylmethylidene)octanal (CAS: 101-86-0)?

2-(phenylmethylidene)octanal finds applications in the pharmaceutical industry as a synthetic intermediate. It is also used in the fragrance and flavor industry for its aromatic properties. Additionally, it serves as a research compound for studying chemical reactivity and is sometimes utilized in organic synthesis for creating complex molecules.

Is 2-(phenylmethylidene)octanal (CAS: 101-86-0) safe?

2-(phenylmethylidene)octanal is generally considered safe when handled properly. However, it should be used with caution as it may have potential irritant effects. Protective measures such as gloves, goggles, and a well-ventilated area are recommended. Safety standards for handling this compound align with those for other organic solvents and aldehydes.

How should 2-(phenylmethylidene)octanal (CAS: 101-86-0) be stored?

2-(phenylmethylidene)octanal should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed container at temperatures below 25°C and away from moisture and light. Proper storage helps prevent degradation and ensures the compound remains usable for its intended applications.