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Home> Hot Product Listed M   > methyl (2e,4z)-2-ethyl-6,6-dimethylhepta-2,4-dienoate
110-27-0 structure

methyl (2e,4z)-2-ethyl-6,6-dimethylhepta-2,4-dienoate

CAS No.:110-27-0
Molecular Weight:270.45066
Molecular Formula:C21H22N6O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3
InChkey
AXISYYRBXTVTFY-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCCC(=O)OC(C)C
Properties
Melting Point
-5°C
Vapour
0.000329mmHg at 25°C
Refractive Index
1.434-1.436
HS Code
29159080
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S26;S36
HazardClass
6.1
PackingGroup
I; II; III
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000_10000 view >
INTERMEDIATE JOINT INTERMEDIATE_USE_ONLY view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF Personal Care and Nutrition GmbH 2010
Berg & Schmidt ( GmbH&CO. ) KG 2013
Charles River Laboratories Den Bosch B.V. OR71 2016
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:270.45066g/mol
  • Molecular Formula:C21H22N6O2
  • Exact Mass:270.25588
  • Monoisotopic Mass:270.25588
  • Complexity:199
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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