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1,5-Benzodiazocine, 1-acetyl-1,2,3,4,5,6-hexahydro-6-phenyl- structure
1,5-Benzodiazocine, 1-acetyl-1,2,3,4,5,6-hexahydro-6-phenyl- structure

1,5-Benzodiazocine, 1-acetyl-1,2,3,4,5,6-hexahydro-6-phenyl-

Iupac Name:(1,2,3,4-13C4)octanoic acid
CAS No.:159118-65-7
Molecular Weight:148.25
1. Names and Identifiers
1.1 Name
1,5-Benzodiazocine, 1-acetyl-1,2,3,4,5,6-hexahydro-6-phenyl-
1.2 CAS No.
159118-65-7
1.3 CID
16213598
1.4 Molecular Formula
C18H18N2O (isomer)
1.5 Inchi
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)/i5+1,6+1,7+1,8+1
1.6 InChkey
WWZKQHOCKIZLMA-WKHKRNGSSA-N
1.7 Canonical Smiles
CCCCCCCC(=O)O
1.8 Isomers Smiles
CCCC[13CH2][13CH2][13CH2][13C](=O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
16 °C(lit.)
3.2 Refractive Index
n20/D 1.428(lit.)
4. Safety and Handling
4.1 Risk Statements
34
4.2 Safety Statements
Hazard Codes CRisk Statements 34Safety Statements 26-27-36/37/39-45RIDADR UN 3265 8/PG 2 WGK Germany 3
4.3 Transport
UN 3265 8/PG 2
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

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

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/…

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

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Recommended Suppliers
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OCTANOIC-1,2,3,4-13C4 ACID
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/11/25
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OCTANOIC-1,2,3,4-13C4 ACID
  • Purity:99%Packing: 200kg/bag FOB
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OCTANOIC-1,2,3,4-13C4 ACID
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/11/25
Inquire