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Home > Encyclopedia > Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)-

Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)-

Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)- structure

Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)- 

structure
  • CAS No:

    83261-15-8

  • Formula:

    C7H13ClO2

  • Chemical Name:

    Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)-

  • Synonyms:

    Propanoic acid,2-chloro-,2-methylpropyl ester,(2S)-;Propanoic acid,2-chloro-,2-methylpropyl ester,(S)-;Isobutyl L-(-)-2-chloropropionate;(S)-Isobutyl 2-chloropropionate;Isobutyl L-2-chloropropionate;(S)-2-Chloropropionic acid 2-methylpropyl ester;(S)-Isobutyl-2-chloropropanoate;2-Methylpropyl (2S)-2-chloropropanoate

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Propanoic acid, 2-chloro-, 2-methylpropyl ester, (2S)- Basic Attributes

164.63

164.63

280-349-5

Characteristics

26.3

1.81290

1.017

44-45.5 °C @ Press: 4 Torr

69°C

1.423

-11.5 º (neat)

Safety Information

3

36/37/38-22

26

Xi,Xn

P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 126 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.63
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:164.0604073
Monoisotopic Mass:164.0604073
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:112
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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