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Basic information
- CAS
2363-71-5- Standard SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
CKDDRHZIAZRDBW-UHFFFAOYSA-N- Molecular formula
- C21H42O2
- Average molar mass
- 326.565 g/mol
- Monoisotopic mass
- 326.31848058
Names & identifiers
- Preferred name
- Heneicosanoic acid
- IUPAC
- Henicosanoic acid
- English name
- Heneicosanoic acid
- Molecular formula
- C21H42O2
- Molecular weight
- 326.56
Names & synonyms
C21:0Heneicosylic Acidα-TerthienylHeneicosanoichenicosanoicaciC21:0 FATTY ACIDHENICOSANOIC ACIDHeneicosanoic acidCARBOXYLIC ACID C21N-HENEICOSANOIC ACID
Database identifiers
- CAS
2363-71-5- PubChem CID
- 16898
- DTXSID
DTXSID0021595- ChEMBL
CHEMBL1172909- ChEBI
CHEBI:39248- UNII
- NRY04FUK8H
- EC Number
- 219-113-3
- Nikkaji
- J97.993G
Properties
Physicochemical properties
- Melting point
- 74 · 74-75 °C(lit.)
- Boiling point
- 170 °C · 170 °C (0.07501 mmHg)
- Density
- 0.8903 · 0.8903 (rough estimate)
- refractive index
- 1.4538 · 1.4538 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- almost transparency in hot Methanol
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- Shiny Fluffy Crystalline Powder
- color
- White
- biological source
- plant
- BRN
- 1711889 · 1711889
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Abraham (2003)
- Major Application
- food and beverages
- InChI
- InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
- InChIKey
- CKDDRHZIAZRDBW-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCCCCCCCCCCCCCCCC
- LogP
- 9.81 · 9.810 (est)
- CAS DataBase Reference
- 2363 · 2363-71-5(CAS DataBase Reference)
- FDA UNII
- 4 FUK8H · NRY04FUK8H
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29159000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesHeneicosanoic Acid is a long chain fatty acid used by S.epidermidis for lipopeptide production. In addition, Heneicosanoic Acid can be used as an analytical standard.Environmental contaminants; food contaminants.
Upstream & downstream products
Upstream raw materials
Suppliers92 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
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Compound notes
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