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4313-03-5

4313-03-5 structural image
Product Name: trans,trans-2,4-Heptadienal
Formula: C7H10O
Synonyms: 2,4-Heptadienal
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Slightly yellow liquid; fatty, green aroma
Solubility Soluble in fixed oils; Insoluble in water
Density 0.822-0.828
Refractive Index 1.478-1.480
Kovats Retention Index 966.6 966.6 987 978.2 1000 984 980 987 994 994 988 989 981 990 974 981 973 991 980 983 979 979 981 982 982 984 979 983

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H302:Acute toxicity,oral
H311:Acute toxicity,dermal
H315:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 110.15 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 110.073164938 g/mol
Monoisotopic Mass 110.073164938 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 101
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(E,E)-hepta-2,4-dienal is a heptadienal in which the two double bonds are located at positions 2 and 4 (the E,E-geoisomer). It has a role as a flavouring agent.