CAS 623-65-4 Palmitic anhydride (HCID 69339)

Names & identifiers

Preferred name: Palmitic anhydride
IUPAC: hexadecanoyl hexadecanoate
English name: Palmitic anhydride
Molecular formula: C32H62O3
Molecular weight: 494.83

Names & synonyms

Palmitic anhydride623-65-4Palmitic acid anhydrideHexadecanoic acid, anhydrideUNII-33JHB8GS9633JHB8GS96EINECS 210-805-0NSC 285112NSC-285112DTXSID601014660RefChem:169716DTXCID20818407

Show more names

Palmitic AnhydrideeDipalmitic anhydridePalmiticAnhydride>Bispalmitic anhydridePalmitic anhydride 97%Palmitic anhydride,96%Palmitic anhydride 99+%Bishexadecanoic anhydride

210-805-0QWZBEFCPZJWDKC-UHFFFAOYSA-Nhexadecanoyl hexadecanoateHexadecanoic anhydrideMFCD00008992C32H62O3Hexadecanoic acid, 1,1'-anhydriden-hexadecanoic anhydride

Database identifiers

CAS: 623-65-4
PubChem CID: 69339
DTXSID: DTXSID601014660
UNII: 33JHB8GS96
EC Number: 210-805-0
Nikkaji: J24.134B

Properties

Computed structural properties

XLogP: 14.6
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 30
Heavy atoms: 35
Formal charge: 0
Complexity: 406

Physicochemical properties

Melting point: 61 · 61-64 °C (lit.)
Boiling point: 547.77 °C · 547.77°C (rough estimate)
Density: 0.8388 · 0.8388
refractive index: 1.4364 · 1.4364 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: almost transparency in Toluene
form: powder to crystal
color: White to Almost white
BRN: 1807507 · 1807507
InChI: InChI=1S/C32H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)35-32(34)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey: QWZBEFCPZJWDKC-UHFFFAOYSA-N
SMILES: C(=O)(CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
LogP: 14.107 · 14.107 (est)
CAS DataBase Reference: 623 · 623-65-4(CAS DataBase Reference)
FDA UNII: 33 JHB8GS96 · 33JHB8GS96
EPA Substance Registry System: Palmitic acid anhydride (623-65-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 290 · H290-H314
Precautionary statements: 234 · P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-25
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-21
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29159000 · 29159000
Storage Class: 11 · 11 - Combustible Solids
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H290 (35.4%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesMet. Corr. 1 (35.4%)

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29159000
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45-25
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H290-H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P234-P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P280-P305+P351+P338-P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexadecanoic acid, 1,1'-anhydride: ACTIVE

Applications

UsesPalmitic anhydride was used in the synthesis of water-soluble N-palmitoyl chitosan (PLCS) by coupling with swollen chitosan in dimethyl sulfoxide (DMSO). It was also used in the synthesis of N-acylphosphatidylserine.

General DescriptionPalmitic anhydride reacted with 20-methyl spirolide G to form a derivative with a retention time and spectrum identical with the metabolite, 17-O-palmitoyl-20-methyl spirolide G.