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Home> Hot Product Listed 3   > 3-methyl-1,1-bis(methylsulfanyl)buta-1,2-diene
59414-23-2 structure

3-methyl-1,1-bis(methylsulfanyl)buta-1,2-diene

Iupac Name:[(3Z)-4-methoxybuta-1,3-dien-2-yl]oxy-trimethylsilane
CAS No.:59414-23-2
Molecular Weight:172.299
Molecular Formula:C13H16N4O2 (isomer)
Names and Identifiers
Synonyms

1,2-butadiene, 3-methyl-1,1-bis(methylthio)- CTK1H6470 DTXSID30660378 OR165840

Inchi
InChI=1S/C8H16O2Si/c1-8(6-7-9-2)10-11(3,4)5/h6-7H,1H2,2-5H3/b7-6-
InChkey
SHALBPKEGDBVKK-SREVYHEPSA-N
Canonical Smiles
COC=CC(=C)O[Si](C)(C)C
Isomers Smiles
CO/C=C\C(=C)O[Si](C)(C)C
Properties
Refractive Index
n20/D 1.454(lit.)
Safety and Handling
Risk Statements
R10
Safety Statements
S16
Transport
UN 1993 3/PG 3
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H226 Flammable liquid and vapour

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:172.299g/mol
  • Molecular Formula:C13H16N4O2
  • Compound Is Canonicalized:True
  • Exact Mass:172.092
  • Monoisotopic Mass:172.092
  • Complexity:156
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:18.5A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwMAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGhAAAEAACASggAJCAAAABAGA ACBCAAAACAAAIAAIAAAAAAAIBAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-27-87465837
  • Fax:86-27-87772287
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:+44-(1787)-883320
  • Fax:+44-(1787)-883301
  • Tel:+420-(220)-515541
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  • Fax:+44-(845)-0944385
 
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