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Home> Hot Product Listed 3   > 3-Methylglutaric acid di(trimethylsilyl) ester
89-78-1 structure

3-Methylglutaric acid di(trimethylsilyl) ester

Iupac Name:5-methyl-2-propan-2-ylcyclohexan-1-ol
CAS No.:89-78-1
Molecular Weight:156.27
Molecular Formula:C6H12O4 (isomer)
Names and Identifiers
Synonyms

3-Methylglutaric acid bis(trimethylsilyl) ester 3-Methylpentanedioic acid bis(trimethylsilyl) ester

Inchi
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
InChkey
NOOLISFMXDJSKH-UHFFFAOYSA-N
Canonical Smiles
CC1CCC(C(C1)O)C(C)C
Properties
Melting Point
34-36 °C(lit.)
Vapour
0.8 mm Hg ( 20 °C)
Refractive Index
1.4615
Alpha
-2 o (C=10, ETOH)
HS Code
29061100
Safety and Handling
Risk Statements
37/38-41-36/37/38
Safety Statements
36/37/39-24/25-36-26-39
Transport
UN 1888 6.1/PG 3
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 2013
Lanxess Deutschland GmbH 2017
Symrise AG 2014
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

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.

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

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:156.27g/mol
  • Molecular Formula:C6H12O4
  • Compound Is Canonicalized:True
  • Exact Mass:156.151
  • Monoisotopic Mass:156.151
  • Complexity:120
  • Rotatable Bond Count:1
  • 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:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBwIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADRSggAICAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwPAOgAAAAAAAAACAAAIAABAAAAAAAAAA AA==
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