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4-Methyl-2-pentenal

4-Methyl-2-pentenal structure

CAS No:
5362-56-1
Formula:
C6H10O
Chemical Name:
4-Methyl-2-pentenal
Synonyms:
2-Pentenal,4-methyl-;4-Methyl-2-pentenal;4-Methylpent-2-enal;NSC 23382
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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Description

clear colorless to light yellow liquid

4-Methyl-2-pentenal Basic Attributes

Molecular Weight：

98.14

Exact Mass：

98.14

EC Number：

226-348-5

DSSTox ID：

DTXSID0063816

HScode：

2912190090

Characteristics

PSA：

17.07000

XLogP3：

1.39750

Appearance：

Clear colorless to light yellow Liquid

Density：

0.825g/cm3

Melting Point：

-78°C (estimate)

Boiling Point：

100-120 °C

Flash Point：

32 °C

Refractive Index：

1.436-1.444

Water Solubility：

Slightly soluble in water; soluble in fats

Storage Conditions：

Refrigerator (+4°C) + Flammables area

Safety Information

hazard class code：

safety instructions：

GHS Classification：

Not Classified

4-Methyl-2-pentenal Use and Manufacturing

Manufacturing Info：

2-Pentenal, 4-methyl-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:98.14
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:98.073164938
Monoisotopic Mass:98.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:72.2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes