Basic information
- CAS
2433-96-7- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
XEZVDURJDFGERA-UHFFFAOYSA-N- Molecular formula
- C23H46O2
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.34978071
Names & identifiers
- Preferred name
- Tricosanoic Acid
- IUPAC
- tricosanoic acid
- English name
- Tricosanoic acid
- Molecular formula
- C23H46O2
- Molecular weight
- 354.61
Names & synonyms
TRICOSANOIC ACID2433-96-7n-Tricosanoic acidMUC9A0MS6VDTXSID40179067CHEBI:42394RefChem:899281DTXCID70101558219-419-7Tricosylic acidTRICOSANOICACIDMFCD00002808
Show more names
TricosansαurericosanoicaciTricosanoic actricosanic acid1-TricosansαureTricosanoic AciC23:0 FATTY ACID
n-TricosanoateUNII-MUC9A0MS6V22FAEINECS 219-419-7FA 23:0SCHEMBL250860F23LMFA01010023
Database identifiers
- CAS
2433-96-7- PubChem CID
- 17085
- DTXSID
DTXSID40179067- ChEMBL
CHEMBL1173462- ChEBI
CHEBI:42394- UNII
- MUC9A0MS6V
- EC Number
- 219-419-7
- Nikkaji
- J97.994E
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Melting Point77.0 - 79.0 °C
Physical Description
Solid; [Sigma-Aldrich MSDS]
Solid
Kovats Retention Index2668.1
Collision Cross Section
196.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
196.7 Ų [M-H]-；205.4 Ų [M+Na]+
Physicochemical properties
- Melting point
- 77 · 77-79 °C(lit.)
- Boiling point
- 421.66 °C · 421.66°C (rough estimate)
- Density
- 0.8917 · 0.8917 (rough estimate)
- refractive index
- 1.461 · 1.4610 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Hexanes (Slightly, Heated)
- form
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 InformationTricosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Regulatory information
Regulatory InformationTricosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular；Membrane
Applications
UsesTricosanoic Acid is a saturated fatty acid. It may be used to activate orphan G protein-coupled receptor GPR40.
UsesTricosanoic acid is a purified product is used in medical research and as reference standard for gas chromatography.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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