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Home> Encyclopedia >   /  Forest chemicals  /  Antioxidants  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Vitamins, Amino Acids and Coenzymes
Ascorbyl Palmitate structure
Ascorbyl Palmitate structure

Ascorbyl Palmitate

Iupac Name:[(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate
CAS No.:137-66-6
Molecular Weight:414.53300
Introduction: Ascorbyl Palmitate is an ester formed from ascorbic acid (A786990) and palmitic acid (P144500) creating a fat soluble form of vitamin C. Ascorbyl Palmitate is also used as an antioxidant food additive.
1. Names and Identifiers
1.1 Name
Ascorbyl Palmitate
1.2 Synonyms

6-O-Palmitoyl ascorbate Ascorbyl Palmitate (2 g) Ascorbyl Palmitate (2 g) (AS) Ascorbyl palMitate / 6-PalMitoylascorbic acid ASCORBYL PALMITATE(ASCORBIC ACID-6-PALMITATE)(P) L-Ascorbyl 6-Palmitate Palmitoyl ascorbate PALMITOYL L-ASCORBIC ACID VitaMin C Oil Soluble/L-Ascorbyl PalMitate

1.3 CAS No.
137-66-6
1.4 CID
54680660
1.5 EINECS(EC#)
205-305-4
1.6 Molecular Formula
C22H38O7 (isomer)
1.7 Inchi
InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3/t17-,21+/m0/s1
1.8 InChkey
QAQJMLQRFWZOBN-LAUBAEHRSA-N
1.9 Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O
1.10 Isomers Smiles
CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
2. Properties
3.1 Density
1.15 g/cm3
3.2 Melting Point
115-118°C(lit.)
3.4 Vapour
3.32E-14mmHg at 25°C
3.5 Refractive Index
22.5 ° (C=1, EtOH)
3.6 Flash Point
178.1ºC
3.7 Appearance
White to yellowish powder
3.8 Chemical Properties
Light yellow powder
3.9 pKa
3.96±0.10(Predicted)
3.10 Solubility
Slightly soluble in ethyl alcohol.
3.11 Water Solubility
Slightly soluble in ethyl alcohol.
3. Use and Manufacturing
4.1 Produe Method
Ascorbyl palmitate is prepared synthetically by the reaction ofascorbic acid with sulfuric acid followed by reesterification withpalmitic acid.
4.2 Safety Profile
When heated todecomposition it emits acrid smoke andirritating fumes.
4.3 Storage
Ambient temperatures.
4.4 Usage
Ascorbyl Palmitate is an ester formed from ascorbic acid (A786990) and palmitic acid (P144500) creating a fat soluble form of vitamin C. Ascorbyl Palmitate is also used as an antioxidant food additive.
4. Safety and Handling
5.1 Hazard Codes
Xn
5.2 Risk Statements
R20/21/22
5.3 Safety Statements
S26-S36
5.4 Transport
25kgs
5.5 Incompatibilities
Incompatibilities are known with oxidizing agents; e.g. in solutionoxidation is catalyzed by trace metal ions such as Cu2+ and Fe3+.
5.6 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CI7671040
CHEMICAL NAME :
L-Ascorbic acid, 6-palmitate
CAS REGISTRY NUMBER :
137-66-6
BEILSTEIN REFERENCE NO. :
0096552
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C22-H38-O7

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FAONAU FAO Nutrition Meetings Report Series. (Rome, Italy) No.?-57, 1948-77. Discontinued. Volume(issue)/page/year: 53A,146,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1517 No. of Facilities: 145 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 3051 (estimated) No. of Female Employees: 1122 (estimated)
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

8. Precursor and Product
9. Computational chemical data
  • Molecular Weight:414.53300g/mol
  • Molecular Formula:C22H38O7
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:414.26175355
  • Monoisotopic Mass:414.26175355
  • Complexity:515
  • Rotatable Bond Count:18
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:113
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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