Tetracosanoic Acid

HCID 11197
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Basic information

CAS
557-59-5
Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N
Molecular formula
C24H48O2
Average molar mass
368.6 g/mol
Monoisotopic mass
368.36543077

Names & identifiers

Preferred name
Tetracosanoic Acid
IUPAC
tetracosanoic acid
English name
Lignoceric acid
Molecular formula
C24H48O2
Molecular weight
368.64

Names & synonyms

Tetracosanoic acidLignoceric acid557-59-5N-TETRACOSANOIC ACIDRK3VCW5Y1LDTXSID6021664CHEBI:28866fatty acid 24:0RefChem:153409DTXCID701664209-180-7MFCD00002810
Show more names
L88Tetracosanoic Acid(C24:0)FL88C24:0 ACIDLignoceric aciL88(fattyacid)TetracosansureFL88(fattyacid)
FA 24:0N-Lignocericacidtetracosanoic acid (lignoceric acid)UNII-RK3VCW5Y1LLignozerinsaeureTetracosansaeureCarnaubic acidlingnoceric acid

Database identifiers

CAS
557-59-5
PubChem CID
11197
DTXSID
DTXSID6021664
ChEMBL
CHEMBL1173620
ChEBI
CHEBI:28866
UNII
RK3VCW5Y1L
EC Number
209-180-7
Nikkaji
J11.350F

Properties

Computed structural properties

XLogP
10.7
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
22
Heavy atoms
26

Experimental & physicochemical properties

Melting Point84.2 °C
Physical Description · 2 items

Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]

Solid

Ionization Efficiency · 6 items

Positive

0.71

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index · 2 items

2685

2760

Collision Cross Section · 5 items

199.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]

216.86 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]；200.57 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

201.11 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

197.93 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

215.5 Ų [M+Na]+；199.9 Ų [M-H]-；200.9 Ų [M-H]-

Physicochemical properties

Melting point
80 · 80-82 °C
Boiling point
272 °C10 · 272 °C10 mm Hg(lit.)
Density
0.879 · 0.8790
refractive index
100 · nD100 1.4287
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly, Heated), Ethyl Acetate (Slightly)

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.；There are 2 notifications provided by 39 of 40 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 InformationTetracosanoic 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]
EPA Safer ChemicalChemical: Lignoceric acid； Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (95%)

Regulatory information

Regulatory InformationTetracosanoic 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
wgk
-
tsca
TSCA listed
hs_code
29159000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Pharmacology

Tissue LocationsFibroblasts
Cellular LocationsCytoplasm；Extracellular；Membrane；Peroxisome
Metabolite PathwaysAdrenoleukodystrophy, X-linked；Biosynthesis of unsaturated fatty acids；Carnitine-acylcarnitine translocase deficiency

Uses & manufacturing

UsesFound in the seed fat of the Indian tree Adenanthera pavonina and in most natural fats; Obtained from beechwood tar or by distillation of rotten oak wood; [Merck Index]
Use Classification · 2 items

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing InformationTetracosanoic acid: ACTIVE
Applications · 2 items

DescriptionLignoceric acid is a 24-carbon saturated (24:0) fatty acid. In mammals, it is synthesized during brain development and is found in cerebrosides. The deficient peroxisomal oxidation of very-long-chain fatty acids, including lignoceric acid, contributes to certain syndromes, including Zellweger cerebro-hepato-renal syndrome and X chromosome-linked adrenoleukodystrophy. Lignoceric acid is also a by-product of lignin production.

UsesTetracosanoic Acid is a chemical component of a dried mushroom powder exhibiting antioxidant properties. It is a long chain fatty acid present in peanut oil.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [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]

Additional notes

DefinitionChEBI: A C24 straight-chain saturated fatty acid.

Related reactions

31 records
New reaction record

Compound notes

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