ವಿಷಯಕ್ಕೆ ಹೋಗು

1,8-octanediol

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chemical compound

External resources

Freebase ಐಡಿ
/m/0289g2b
Reaxys registry number
1633499
ZVG number
40620
PubChem CID
69420[೧][೨]
DSSTOX compound identifier
DTXCID702416
UniChem compound ID
638579[೩]
PDB ligand ID
ODI
KEGG ID
C14218
NSC number
81228
Nikkaji ID
J96.516B
InChIKey
OEIJHBUUFURJLI-UHFFFAOYSA-N[೧][೪]
ChEBI ID
44630[೫][೬][೭]

mapping relation type: exact match

DSSTox substance ID
DTXSID2022416[೮][೨]
CosIng number
83800[೯]
J-GLOBAL ID
200907046029581592
SureChEMBL ID
SCHEMBL22427[೧೦][೨]
UNII
806K32R50Z[೧೧][೨]
ECHA Substance Infocard ID
100.010.083[೧೨]
PDB structure ID
2DM5[೧೩]
ChemSpider ID
62628[೧೪]
EC number
211-090-8[೧೧]
InChI
InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2[೧]
Gmelin number
1524772
CAS Registry Number
629-41-4[೧೧]
Microsoft Academic ID
2776230967
RxNorm ID
1600440[೧೧]
LIPID MAPS ID
LMFA05000683[೧೫]

ಉದಾಹರಣೆಗೆ

type of chemical entity

ಉಪವರ್ಗ

alkanediols
fatty alcohol

chemical structure

mass

೧೪೬.೧೩೧ dalton[೧೬]

chemical formula

C₈H₁₈O₂[೧]

canonical SMILES

C(CCCCO)CCCO[೧]

melting point

೬೦.೦ degree Celsius[೧೭]

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

NFPA Health: 1

NFPA Fire: 0

NFPA Instability: 0

ಕಾಮನ್ಸ್ ವರ್ಗ

1,8-Octanediol

Reference

  1. ↑ ೧.೦ ೧.೧ ೧.೨ ೧.೩ ೧.೪ PubChem, ೧೮ ನವೆಂಬರ್ 2016, ಆಂಗ್ಲ, 69420, 1,8-Octanediol
  2. ↑ ೨.೦ ೨.೧ ೨.೨ ೨.೩ OEIJHBUUFURJLI-UHFFFAOYSA-N, InChIKey
  3. ↑ UniChem
  4. ↑ ChEBI release 2020-09-01
  5. ↑ ChEBI, ೧೯ ಅಕ್ಟೋಬರ್ 2016, ಆಂಗ್ಲ, octane-1,8-diol, 44630
  6. ↑ ChEBI release 2019-10-02
  7. ↑ InChI=1S/C8H18O2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2, International Chemical Identifier
  8. ↑ Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
  9. ↑ CosIng database, ೨೮ ಡಿಸೆಂಬರ್ 2019, 83800, OCTANEDIOL, CAS no.: 629-41-4
  10. ↑ inferred from InChIKey
  11. ↑ ೧೧.೦ ೧೧.೧ ೧೧.೨ ೧೧.೩ Global Substance Registration System, ೧೮ ನವೆಂಬರ್ 2016, ಆಂಗ್ಲ, octanediol, 806K32R50Z
  12. ↑ ECHA Substance Infocard database, ೨೭ ಡಿಸೆಂಬರ್ 2018, 100.010.083, Octane-1,8-diol, CAS no.: 629-41-4
  13. ↑ Protein Data Bank, ೧೯ ಅಕ್ಟೋಬರ್ 2016, ಆಂಗ್ಲ, 2DM5, 2DM5
  14. ↑ ChemSpider, ೧೮ ನವೆಂಬರ್ 2016, ಆಂಗ್ಲ, 62628, Octane-1,8-diol
  15. ↑ LIPID MAPS, http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download, ೩೦ ಜೂನ್ 2018
  16. ↑ PubChem, ೧೯ ಅಕ್ಟೋಬರ್ 2016, ಆಂಗ್ಲ, 69420, 1,8-Octanediol
  17. ↑ Jean-Claude Bradley Open Melting Point Dataset
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