Skip to Content
Merck
All Photos(2)

Key Documents

View All Documentation

Safety Information

289027

Sigma-Aldrich

3-Phenylbutyraldehyde

97%

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

Linear Formula:
CH3CH(C6H5)CH2CHO
CAS Number:
16251-77-7
Molecular Weight:
148.20
EC Number:
240-362-9
MDL number:
MFCD00010698
UNSPSC Code:
12352100
PubChem Substance ID:
24857379
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.5179 (lit.)

bp

93-94 °C/16 mmHg (lit.)

density

0.997 g/mL at 25 °C (lit.)

functional group

aldehyde
phenyl

SMILES string

[H]C(=O)CC(C)c1ccccc1

InChI

1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

InChI key

MYHGOWDLVRDUFA-UHFFFAOYSA-N

Application

3-Phenylbutyraldehyde was used as a reactant to study the kinetics of the reaction of hydrogen peroxide and certain aromatic aldehydes with cytochrome P450BM3-F87G.

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

206.6 °F - closed cup

Flash Point(C)

97.00 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

289027-VAR:
289027-100ML:
289027-5ML:
289027-BULK:
289027-500ML:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCJ4799
MKCG4143
MKBT3570V
MKBG2419V
24596TJ

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Holger Bühler et al.
Chembiochem : a European journal of chemical biology, 6(4), 711-717 (2005-04-07)
The influence of Trp128-substituted mutants of the hydroxynitrile lyase from Manihot esculenta (MeHNL) on the stereoselectivity of MeHNL-catalyzed HCN additions to aldehydes with stereogenic centers, which yield the corresponding cyanohydrins, is described. In rac-2-phenylpropionaldehyde (rac-1) reactions, wild-type (wtMeHNL) and all
G M Raner et al.
Journal of inorganic biochemistry, 81(3), 153-160 (2000-10-29)
The reaction of hydrogen peroxide and certain aromatic aldehydes with cytochrome P450BM3-F87G results in the covalent modification of the heme cofactor of this monooxygenase. Analysis of the resulting heme by electronic absorption spectrophotometry indicates that the reaction in the BM3

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service