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57-10-3 molecular structure
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hexadecanoic acid

ChemBase ID: 3443
Molecular Formular: C16H32O2
Molecular Mass: 256.42408
Monoisotopic Mass: 256.24023026
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCC(=O)O
Canonical SMILES:
CCCCCCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey:
IPCSVZSSVZVIGE-UHFFFAOYSA-N

Cite this record

CBID:3443 http://www.chembase.cn/molecule-3443.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hexadecanoic acid
IUPAC Traditional name
palmitic acid
Synonyms
1-Hexyldecanoic Acid
FAT
Palmitinic acid
Palmitate
1-Pentadecanecarboxylic acid
Hexadecanoic acid
Palmitinsaeure
Hexaectylic acid
Hexadecoic acid
Hexadecylic acid
Hexadecanoate
Palmitic Acid
Cetylic Acid
Hydrofol
C16:0
NSC 5030
PamOH
Palmitic acid
C16:0 (Lipid numbers)
palmic acid
A 1600
Edenor C 16-98-100
Edenor C16
Emersol 143
FA 1695
Hydrofol Acid 1690
Hystrene 9016
KortAcid 1695
KortAcid 1698
Loxiol EP 278
Lunac P 95
Lunac P 95KC
Lunac P 98
NAA 160
Neo-Fat 16
PA 900
Pentadecanecarboxylic Acid
Prifac 2960
Pristerene 4934
V 1695
n-Hexadecanoic Acid
n-Hexadecoic Acid
十六酸
棕榈酸
CAS Number
57-10-3
EC Number
200-312-9
MDL Number
MFCD00002747
Beilstein Number
607489
Merck Index
146996
PubChem SID
24898107
46506400
160966882
24901339
24856755
24886938
24898594
24898674
PubChem CID
985
CHEMBL
82293
FEMA ID
2832
IUPHAR ligand ID
1055
Wikipedia Title
Palmitic_acid
Council of Europe Number
14
Flavis Number
8.014

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 4.9520197  H Acceptors
H Donor LogD (pH = 5.5) 5.600777 
LogD (pH = 7.4) 3.8416421  Log P 6.2565827 
Molar Refractivity 77.0836 cm3 Polarizability 30.713764 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 
Log P 7.23  LOG S -5.8 
Solubility (Water) 4.07e-04 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
4e-05 mg/mL at 25 oC [ROBB.ID (1966)] expand Show data source
chloroform: soluble0.5 M, clear, colorless expand Show data source
Insoluble in water expand Show data source
Apperance
White crystals expand Show data source
Melting Point
60-62°C expand Show data source
61-62.5 °C(lit.) expand Show data source
62.9 °C expand Show data source
62-64 °C expand Show data source
63-64 °C (146 °F) expand Show data source
Boiling Point
215°C/15mm expand Show data source
271.5 °C/100 mmHg(lit.) expand Show data source
351-352 °C
215 °C at 15 mmHg
expand Show data source
352 °C (665 °F) expand Show data source
Flash Point
206 °C expand Show data source
206°C(402°F) expand Show data source
402.8 °F expand Show data source
Density
0.852 g/mL at 25 °C(lit.) expand Show data source
0.853 expand Show data source
0.853 at 62 °C (water = 1) expand Show data source
0.853 g/cm3 at 62 °C expand Show data source
Refractive Index
1.4273 expand Show data source
Vapor Pressure
10 mmHg ( 210 °C) expand Show data source
Very low at 25 °C, 1 mm Hg (0.133 kPa) at 154 °C expand Show data source
Hydrophobicity(logP)
7.17 [SANGSTER (1993)] expand Show data source
pKa
4.78 expand Show data source
Storage Condition
0°C expand Show data source
Room Temperature (15-30°C) expand Show data source
RTECS
RT4550000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
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Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
nwg expand Show data source
Risk Statements
36 expand Show data source
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
NFPA704
NFPA 704 diagram
1
1
0
expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H319 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Regulation Compliance
EU Regulation 1334/2008 & 178/2002 expand Show data source
FCC expand Show data source
FDA 21 CFR (172.210) expand Show data source
FDA 21 CFR (172.860) expand Show data source
FDA 21 CFR (173.340) expand Show data source
Gene Information
human ... FABP2(2169), FABP3(2170), FABP4(2167), FABP5(2171) expand Show data source
Allergens
no known allergens expand Show data source
Purity
≥99% expand Show data source
~95% expand Show data source
≥95.0% expand Show data source
≥98% palmitic acid basis (GC) expand Show data source
≥98.0% (GC) expand Show data source
≥98.5% (GC) expand Show data source
≥99% expand Show data source
≥99.0% (GC) expand Show data source
90% expand Show data source
95% expand Show data source
95+% expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
FG expand Show data source
Halal expand Show data source
Kosher expand Show data source
NI expand Show data source
puriss. expand Show data source
purum expand Show data source
SAJ first grade expand Show data source
TECHNICAL expand Show data source
TraceCERT® expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.1% expand Show data source
Impurities
≤0.0005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
≤1% stearic acid (GC) expand Show data source
Cation Traces
Al: ≤0.005% expand Show data source
Ca: ≤0.0005% expand Show data source
Cu: ≤0.0005% expand Show data source
Fe: ≤0.0005% expand Show data source
K: ≤0.005% expand Show data source
Mg: ≤0.0005% expand Show data source
Na: ≤0.05% expand Show data source
NH4+: ≤0.05% expand Show data source
Pb: ≤0.001% expand Show data source
Zn: ≤0.0005% expand Show data source
Antion Traces
chloride (Cl-): ≤0.05% expand Show data source
sulfate (SO42-): ≤0.05% expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Type
Grade II expand Show data source
Product Line
BioXtra expand Show data source
Acid Value
≤240 expand Show data source
Iodine Value
≤0.5 expand Show data source
Saponification Value
≤240 expand Show data source
Pharmacopeia Traceability
traceable to PhEur P0090000 expand Show data source
traceable to USP 1492007 expand Show data source
Linear Formula
CH3(CH2)14COOH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02100905 external link
Purity: 99+%
Crystalline
Free Acid
MP Biomedicals - 02102553 external link
Technical Grade
Crystalline
Free Acid
Purity: ~95%
MP Biomedicals - 05217295 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB03796 external link
Item Information
Drug Groups experimental
Description A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids. [PubChem]
Pharmacology Palmitic acid is the first fatty acid produced during lipogenesis (fatty acid synthesis) and from which longer fatty acids can be produced. Palmitate negatively feeds back on acetyl-CoA carboxylase (ACC) which is responsible for converting acetyl-ACP to malonyl-ACP on the growing acyl chain, thus preventing further palmitate generation
Toxicity Acute oral toxicity (LD50) in rat is >10000 mg/kg
External Links
Wikipedia
Sigma Aldrich - P0500 external link
Packaging
10, 25, 100, 250 g in poly bottle
Sigma Aldrich - PHR1120 external link
General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.
Sigma Aldrich - W283207 external link
Packaging
1 kg in poly bottle
10 kg in poly drum
1 sample in glass bottle
25 kg in fiber drum
Sigma Aldrich - 43051 external link
General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34. This CRM is traceable to NIST SRM.Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
Legal Information
TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC
Sigma Aldrich - P5585 external link
Biochem/physiol Actions
Palmitic acid is a straight-chain 16-carbon fatty acid. Diets rich in palmitic acid, along with lauric and myristic acids, are associated with increased serum levels of low-density lipoprotein cholesterol. Palmitic acid is the first fatty acid produced by lipogenesis. It is a negative regulator of acetyl-CoA carboxylase (ACC) and is implicated in fatty acid-induced insulin resistance.
Sigma Aldrich - 258725 external link
Packaging
100 g in poly bottle
Sigma Aldrich - P51 external link
Packaging
1 kg in poly bottle
Toronto Research Chemicals - P144500 external link
Palmitic Acid is a common fatty acid found in plants and animals. The body converts excess carbohydrates into Palmitic Acid, thus Palmitic Acid is the first fatty acid produced during fatty acid synthesis as well as a precursor for longer fatty acids.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Jeffcoat, R. et al.: Lipids, 12, 469 (1977)
  • • Hudgins, L. et al.: J. Lipid Res., 41, 595 (1977)
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PATENTS

PATENTS

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INTERNET

INTERNET

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