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Home > Encyclopedia > (3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one

(3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one

(3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one structure

(3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one 

structure
  • CAS No:

    81786-74-5

  • Formula:

    C12H22O

  • Chemical Name:

    (3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one

  • Synonyms:

    3-Hepten-2-one,3,4,5,6,6-pentamethyl-,(3E)-;3-Hepten-2-one,3,4,5,6,6-pentamethyl-,(E)-;(3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one

  • Categories:

    Cosmetic Ingredient  >  Perfuming

(3E)-3,4,5,6,6-Pentamethyl-3-hepten-2-one Basic Attributes

182.30248

182.30

279-823-4

DTXSID3052563

Characteristics

17.1

3.7

Safety Information

P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, P501

H317

|Warning|H317 (32.59%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 135 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:182.30
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:182.167065321
Monoisotopic Mass:182.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:228
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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