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Home> Hot Product Listed F   > F2645-1194
78-70-6 structure

F2645-1194

Iupac Name:3,7-dimethylocta-1,6-dien-3-ol
CAS No.:78-70-6
Molecular Weight:154.25
Molecular Formula:C34H40O19 (isomer)
Names and Identifiers
Synonyms

2,5-dichloro-n-(5-(4-(n,n-dimethylsulfamoyl)phenyl)-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide AKOS024666495 MCULE-4480884903 MOLPORT-009-694-929 ZINC35590054

Inchi
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
InChkey
CDOSHBSSFJOMGT-UHFFFAOYSA-N
Canonical Smiles
CC(=CCCC(C)(C=C)O)C
Properties
Melting Point
25°C
Vapour
0.17 mm Hg ( 25 °C)
Refractive Index
n20/D 1.462(lit.)
HS Code
29052210
Safety and Handling
Risk Statements
36/37/38-20/21/22
Safety Statements
26-36
Transport
NA 1993 / PGIII
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 >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF SE 2016
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2010
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2017
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1B

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

Response

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.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:154.25g/mol
  • Molecular Formula:C34H40O19
  • Compound Is Canonicalized:True
  • Exact Mass:154.136
  • Monoisotopic Mass:154.136
  • Complexity:154
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAACAAAAAgCA AiBCAAAAAAAgAAAICAAAAAgABAIAAQAAQAAEgAAIEAIAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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