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Home > Encyclopedia > ACETICACID3-BUTEN-2-YLESTER

ACETICACID3-BUTEN-2-YLESTER

ACETICACID3-BUTEN-2-YLESTER structure

ACETICACID3-BUTEN-2-YLESTER 

structure
  • CAS No:

    6737-11-7

  • Formula:

    C6H10O2

  • Chemical Name:

    ACETICACID3-BUTEN-2-YLESTER

  • Synonyms:

    3-ACETOXY-1-BUTENE;3-BUTEN-2-YL ACETATE;1-METHYLALLYL ACETATE;3-Butene-2-ol=acetate;3-Butene-2-ol acetate;aceticacidbutenylester;1-Methyl-2-propenyl acetate;Acetic acid 1-buten-3-yl ester;ACETIC ACID 3-BUTEN-2-YL ESTER;Acetic acid 1-methylallyl ester

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

ACETICACID3-BUTEN-2-YLESTER Basic Attributes

114.14

114.06800

Characteristics

26.30000

1.12400

0.9

112 °C

29.4ºC

1.409

13.03g/L(26 ºC)

Safety Information

3

3272

P264, P270, P301+P312, P330, P501

H302

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:114.14
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:96.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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