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Home> Encyclopedia > Hot Product Listed 1   > 1,1-Cyclohexanediacetic acid
4355-11-7 structure

1,1-Cyclohexanediacetic acid

Iupac Name:2-[1-(carboxymethyl)cyclohexyl]acetic acid
CAS No.:4355-11-7
EINECS(EC#): 224-427-9
Molecular Weight:200.23
Molecular Formula:C10H16O4 (isomer)
Names and Identifiers
Synonyms

1,1-Cyanohexanediacetic acid 1,1-CYCLOHEXANE DIACETIC ACID (CDA) 3,3-Pentamethyleneglutaric Acid 3-OXA-SPIRO[5.5]UNDECANE-2,4-DIONE Cyclohexane-1,1'-diacetic acid Cyclohexyldiaceticacid TIMTEC-BB SBB008597

Inchi
InChI=1S/C10H16O4/c11-8(12)6-10(7-9(13)14)4-2-1-3-5-10/h1-7H2,(H,11,12)(H,13,14)
InChkey
YQPCHPBGAALCRT-UHFFFAOYSA-N
Canonical Smiles
C1CCC(CC1)(CC(=O)O)CC(=O)O
Properties
Appearance
white crystalline powder
Density
1.1508 (rough estimate)
Melting Point
67-70 °C(lit.)
Boiling Point
297.96°C (rough estimate)
Refractive Index
1.4459 (estimate)
Flash Point
213.3°C
HS Code
2917399090
Storage temp
Refrigerator
Safety and Handling
Hazard Codes
Xi
Risk Statements
36/37/38
Safety Statements
22-24/25-37/39-26-36
Transport
25kgs
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:200.23g/mol
  • Molecular Formula:C10H16O4
  • Compound Is Canonicalized:True
  • Exact Mass:200.105
  • Monoisotopic Mass:200.105
  • Complexity:210
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.6A^2
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • 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: AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAGgAACAAADgCAgAAACAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGI7uCPAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-27-13407111142
  • Tel:86-25-83697070
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  • Tel:86-571-87396430
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