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Home > Encyclopedia > S-Isopropyl 3-methylbutanethioate

S-Isopropyl 3-methylbutanethioate

S-Isopropyl 3-methylbutanethioate structure

S-Isopropyl 3-methylbutanethioate 

structure
  • CAS No:

    34322-06-0

  • Formula:

    C8H16OS

  • Chemical Name:

    S-Isopropyl 3-methylbutanethioate

  • Synonyms:

    Butanethioic acid,3-methyl-,S-(1-methylethyl) ester;Butyric acid,3-methylthio-,S-isopropyl ester;S-Isopropyl 3-methylbutanethioate;3-Methyl-1-(propan-2-ylsulfanyl)butan-1-one

  • Categories:

    Cosmetic Ingredient  >  Perfuming

S-Isopropyl 3-methylbutanethioate Basic Attributes

160.27700

160.28

251-936-3

DTXSID6067832

2930909090

Characteristics

42.37000

2.70070

0.929 g/cm3

196.5ºC at 760 mmHg

63.2ºC

1.458

Safety Information

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 113 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

S-Isopropyl 3-methylbutanethioate Use and Manufacturing

Butanethioic acid, 3-methyl-, S-(1-methylethyl) ester: ACTIVE

Computed Properties

Molecular Weight:160.28
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:160.09218630
Monoisotopic Mass:160.09218630
Topological Polar Surface Area:42.4
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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