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Home> Hot Product Listed E   > (E)-1-Propene-1,2,3-tris(carboxylic acid trimethylsilyl) ester
14113-05-4 structure

(E)-1-Propene-1,2,3-tris(carboxylic acid trimethylsilyl) ester

Iupac Name:(E)-10-hydroxydec-2-enoic acid
CAS No.:14113-05-4
Molecular Weight:186.24800
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

(E)-1-Propene-1,2,3-tricarboxylic acid tris(trimethylsilyl) ester

Inchi
InChI=1S/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h6,8,11H,1-5,7,9H2,(H,12,13)/b8-6+
InChkey
QHBZHVUGQROELI-SOFGYWHQSA-N
Canonical Smiles
C(CCCC=CC(=O)O)CCCO
Isomers Smiles
C(CCC/C=C/C(=O)O)CCCO
Properties
Appearance
clear colorless to brownish liquid
Melting Point
64.0 to 68.0 °C
Vapour
6.5E-06mmHg at 25°C
Refractive Index
1.465
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
HS Code
2932999099
Storage temp
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Safety Statements
24/25
Safety

Safety Information about?2,3-Cyclopenopyridine (CPPY) (CAS NO.533-37-9):
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
WGK Germany: 3

Reach Info
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:186.24800g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • Exact Mass:186.126
  • Monoisotopic Mass:186.126
  • Complexity:152
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:57.5A^2
  • Heavy Atom Count:13
  • 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: AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAIACAAAAgCI ACDSCAAAAAAgAAAICAAAAEgAFAIAAQAAUAAEgAAIEYOAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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