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Isocaproaldehyde

Isocaproaldehyde structure

CAS No:
1119-16-0
Formula:
C6H12O
Chemical Name:
Isocaproaldehyde
Synonyms:
Pentanal,4-methyl-;Valeraldehyde,4-methyl-;4-Methylpentanal;Isocaproaldehyde;Isohexanal;4-Methylvaleraldehyde;4-Methyl-1-pentanal;γ-Methylvaleraldehyde;4-Methylpentan-1-one
Categories:
Chemical Reagents > Organic Reagents

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Description

Solid

4-methylpentanal is an alpha-CH2-containing aldehyde. It has a role as a human metabolite and a mouse metabolite.

Isocaproaldehyde Basic Attributes

Molecular Weight：

100.15888

Exact Mass：

100.16

EC Number：

214-273-0

UNII：

T0AO9E93RH

DSSTox ID：

DTXSID8061509

HScode：

2912190090

Characteristics

PSA：

17.07000

XLogP3：

1.62150

Appearance：

Solid

Density：

0.8079 (estimate)

Melting Point：

-72.5°C (estimate)

Boiling Point：

121 °C

Flash Point：

17.8ºC

Refractive Index：

1.4076 (estimate)

Safety Information

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-methylpentanal

Isocaproaldehyde Use and Manufacturing

Uses

4-methylvaleraldehyde is an intermediate used in the synthesis of Pregabalin (P704800) and related compounds.

Manufacturing Info：

Pentanal, 4-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:100.16
XLogP3:1.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:100.088815002
Monoisotopic Mass:100.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Complexity:48.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Isocaproaldehyde

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

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Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

4-methylvaleraldehyde

CAS No.: 1119-16-0

Content: 99.00%

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Compound Net Biotechnology Inc. Contact Supplier

CN
2 YRS

Business licensed Certified factory

Manufactory Supplier of 4-(Pentafluorothio)aniline,Pentafluoro,Pentafluorothio,Pentafluorosulfur,[4-(bromomethyl)phenyl]-pentafluoro-lambda6-sulfane,[4-(pentafluoro-sulfanyl)phenyl]acetic acid

1119-16-0 4-methylpentanal

CAS No.: 1119-16-0

Grade: Industrial Grade

Content: 95%

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