Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
UTOPWMOLSKOLTQ-UHFFFAOYSA-N- Molecular formula
- C28H56O2
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.42803102
Names & identifiers
- Preferred name
- Octacosanoic acid
- IUPAC
- octacosanoic acid
- English name
- OCTACOSANOIC ACID
- Molecular formula
- C28H56O2
- Molecular weight
- 424.74
Names & synonyms
OCTACOSANOIC ACID506-48-9Montanic acidn-octacosanoic acid4BKL1A0KJYNSC-407311DTXSID2075051CHEBI:31001RefChem:167558DTXCID7040863208-041-8octacosoic acid
Show more names
HW-SWLicowax SNsc407311Licowax SFLmontanicaciOctacosansureOctacosanoic aCARBOXYLIC ACID C28
MFCD00002812n-octacosanoateFA 28:0octacosanoicacidC28:0UNII-4BKL1A0KJYoctacosoateOctacosansaeure
Database identifiers
- CAS
506-48-9- PubChem CID
- 10470
- DTXSID
DTXSID2075051- ChEMBL
CHEMBL2261064- ChEBI
CHEBI:31001- UNII
- 4BKL1A0KJY
- EC Number
- 208-041-8
- Nikkaji
- J11.820F
Properties
Computed structural properties
- XLogP
- 12.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 26
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Melting Point90.9 °C
Physical Description
White flakes; [Sigma-Aldrich MSDS]
Solid
Physicochemical properties
- Melting point
- 91 · 91-93 °C(lit.)
- Boiling point
- 466.99 °C · 466.99°C (rough estimate)
- Density
- 0.8887 · 0.8887 (rough estimate)
- refractive index
- 1.4772 · 1.4772 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL, · chloroform: soluble50mg/mL, clear, colorless
- form
- Liquid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White to Almost white
- BRN
- 1801616 · 1801616
- InChI
- InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
- InChIKey
- UTOPWMOLSKOLTQ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
- CAS DataBase Reference
- 506 · 506-48-9(CAS DataBase Reference)
- FDA UNII
- 4 BKL1A0KJY · 4BKL1A0KJY
- EPA Substance Registry System
- Octacosanoic acid (506-48-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- -
- HS Code
- 2915.9 · 2915.90.1800
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationOctacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Regulatory information
Regulatory InformationOctacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- -
- hs_code
- 2915.90.1800
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsFibroblasts
Cellular LocationsExtracellular；Membrane
Metabolite PathwaysAcylcarnitine Octacosanoylcarnitine
Applications
UsesOctacosanoic Acid (cas# 506-48-9) is a useful lubricant compound for preparing flame-retardant and antibacterial sound-insulating tape.
General DescriptionOctacosanoic acid is one of the components of the fruit of Hippophae rhamnoides. It is also present in the aerial part of Curcuma wenyujin.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
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Additional notes
DefinitionChEBI: A C28, very long straight-chain, saturated fatty acid.
Related reactions
10 records
Linked notes
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