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Home> Hot Product Listed 6   > 6-Hepten-2-one, 6-hydroxy- (9CI)
133-37-9 structure

6-Hepten-2-one, 6-hydroxy- (9CI)

Iupac Name:(2R,3R)-2,3-dihydroxybutanedioic acid
CAS No.:133-37-9
Molecular Weight:150.09
Molecular Formula:C16H12O4 (isomer)
Names and Identifiers
Synonyms

2-hydroxy-1-heptene-6-one 6-hydroxyhept-6-en-2-one SCHEMBL17691091

Inchi
InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
InChkey
FEWJPZIEWOKRBE-JCYAYHJZSA-N
Canonical Smiles
C(C(C(=O)O)O)(C(=O)O)O
Properties
Melting Point
210-212 °C(lit.)
Refractive Index
1.5860 (estimate)
Alpha
12 o (C=20, H2O)
HS Code
29181200
Safety and Handling
Risk Statements
36/37/38-41
Safety Statements
26-37/39-36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 133-37-9 EC: 6-Hepten-2-one, 6-hydroxy- (9CI) ·ECHA C&L Inventory for CAS: CAS: 133-37-9 EC: 6-Hepten-2-one, 6-hydroxy- (9CI)
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

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

Response

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

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:150.09g/mol
  • Molecular Formula:C16H12O4
  • Compound Is Canonicalized:True
  • Exact Mass:150.016
  • Monoisotopic Mass:150.016
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:115A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAAAgAI AACQCAIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAABAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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