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2-Methyl-2-pentenal

2-Methyl-2-pentenal structure

CAS No:
623-36-9
Formula:
C6H10O
Chemical Name:
2-Methyl-2-pentenal
Synonyms:
2-Pentenal,2-methyl-;2-Methyl-2-pentenal;α-Methyl-β-ethylacrolein;2-Methyl-2-pentene-1-al;2-Methyl-3-ethylacrolein;β-Ethyl-α-methylacrolein;2-Methyl-2-penten-1-al;NSC 9464;2,4-Dimethylcrotonaldehyde;2-Methyl-2-pentanal
Categories:
Agrochemicals > Pesticide Intermediates

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Description

2-Methyl-2-pentenal has a powerful, grassy-green, slightly fruity odor. clear colorless to pale yellow liquid

2-Methyl-2-pentenal Basic Attributes

Molecular Weight：

98.14

Exact Mass：

98.14

BRN：

506124

EC Number：

210-789-5

DSSTox ID：

DTXSID3052301

HScode：

29121990

Characteristics

PSA：

17.1

XLogP3：

1.60

Appearance：

Clear colorless to pale yellow Liquid

Density：

0.8626 g/cm³ @ Temp: 19 °C

Melting Point：

-90°C

Boiling Point：

136.5 °C

Flash Point：

89 °F

Refractive Index：

1.420

Water Solubility：

20g/L(20 ºC)

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1989 3/PG 3

wgk germany：

hazard class code：

10-20-36-43-41

safety instructions：

26-39-37-27-24

RTECS Number：

SB2100000

Marks：

Precautionary statement(s)：

P261-P273-P280-P305 + P351 + P338-P311

Hazard Statements：

H226-H317-H318-H331-H412

RIDADR：

UN 1989 3/PG 3

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P321, P333+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 1555 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration onto the skin	Rodent - rabbit	500 mg/24H	--	Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,273,1986
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration into the eye	Rodent - rabbit	20 mg/24H	--	Prehled Prumyslove Toxikologie; Organicke Latky, Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,273,1986
SKIN/EYE IRRITATION DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	4290 mg/kg	Details of toxic effects not reported other than lethal dose value--	AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954

2-Methyl-2-pentenal Use and Manufacturing

Methods of Manufacturing

The preparation method is to add phase transfer catalyst and alkali solution to propionaldehyde, reflux for 6 hours, separate the organic phase and extract the water layer with a solvent, combine the organic phase, wash with water, dry, desolvate, and then distill under reduced pressure to collect 39-41 ℃/4kPa fraction, namely 2-methyl-2-pentenal, yield 80%.

Uses

Organic synthesis intermediate.

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:98.14
XLogP3:1.4
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:82.2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

63512-35-6

107-18-6

201230-82-2

7073-48-5

65693-79-0

Recommended Suppliers of 2-Methyl-2-pentenal

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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2-Methyl-2-pentenal

CAS No.: 623-36-9

Content: 99.00%

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