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4-Mercapto-4-methyl-2-pentanone

4-Mercapto-4-methyl-2-pentanone structure

CAS No:
19872-52-7
Formula:
C6H12OS
Chemical Name:
4-Mercapto-4-methyl-2-pentanone
Synonyms:
2-Pentanone,4-mercapto-4-methyl-;4-Mercapto-4-methyl-2-pentanone;4-Methyl-4-mercapto-2-pentanone;2-Mercapto-2-methylpentan-4-one;4-Methyl-4-sulfanylpentan-2-one;4MMP;4-Sulfanyl-4-methylpentan-2-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

colourless to pale yellow liquid; roasted meaty aroma

4-mercapto-4-methylpentan-2-one is an alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is an alkanethiol and a methyl ketone.

4-Mercapto-4-methyl-2-pentanone Basic Attributes

Molecular Weight：

132.22

Exact Mass：

132.22

EC Number：

243-386-8

UNII：

9524RG5ZQL

DSSTox ID：

DTXSID8051839

HScode：

2930909090

Characteristics

PSA：

18.1

XLogP3：

1.23

Appearance：

colourless to pale yellow liquid; roasted meaty aroma

Density：

1.0±0.1 g/cm3

Boiling Point：

55 °C @ Press: 12 Torr

Flash Point：

54 °C

Refractive Index：

1.456

Water Solubility：

soluble in water.

Vapor Pressure：

0.843mmHg at 25°C

Safety Information

Hazard category：

hazard class code：

10-36/37/38

safety instructions：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 160 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Mercapto-4-methyl-2-pentanone Use and Manufacturing

Manufacturing Info：

2-Pentanone, 4-mercapto-4-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:132.23
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:132.06088618
Monoisotopic Mass:132.06088618
Topological Polar Surface Area:18.1
Heavy Atom Count:8
Complexity:96.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Mercapto-4-methyl-2-pentanone

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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CAS No.: 19872-52-7

Content: 99.00%

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Manufactory Supplier of fine chemicals,pharmaceutical materials

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CAS No.: 19872-52-7

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Factory Supply 4-Mercapto-4-Methylpentan-2-One CAS 19872-52-7

CAS No.: 19872-52-7

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Content: 99%

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Guide of 4-Mercapto-4-methyl-2-pentanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Learn More Other Chemicals

4-Mercapto-4-methyl-2-pentanone

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