hexadecanoyl chloride

• ChemBase ID: 104478
• Molecular Formular: C16H31ClO
• Molecular Mass: 274.86974
• Monoisotopic Mass: 274.20634329
• SMILES: CCCCCCCCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C16H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3
• InChIKey: ARBOVOVUTSQWSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecanoyl chloride
• IUPAC Traditional name: hexadecanoyl chloride
• Synonyms: Hexadecanoyl chloride; Palmitoyl chloride; PALMITOYL CHLORIDE; 十六酰氯; 棕榈酰氯

Database IDs

• CAS Number: 112-67-4
• EC Number: 203-996-7
• MDL Number: MFCD00000742
• Beilstein Number: 972409
• PubChem SID: 24898879; 162091590; 24886947
• PubChem CID: 8206

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.789912
• LogD (pH = 7.4): 6.789912
• Log P: 6.789912
• Molar Refractivity: 80.9421 cm^3
• Polarizability: 32.126102 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: 11-13 °C(lit.)
• Boiling Point: 88-90 °C/0.2 mmHg(lit.)
• Flash Point: 160 °C; 320 °F
• Density: 0.906 g/mL at 25 °C(lit.); 0.907 g/mL at 20 °C
• Refractive Index: n20/D 1.452; n20/D 1.452(lit.)

Safety Information

• Storage Condition: 0°C, Desiccate
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34; R:36
• Safety Statements: 26-36/37/39-43.4-45; 26-36/37/39-43-45; S:26
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.0% (GC); ≥98% (capillary GC); 98%; 99%
• Grade: purum
• Linear Formula: CH3(CH2)14COCl

DETAILS

MP Biomedicals - 02156052

Purity: 99%

Sigma Aldrich - P2385

Biochem/physiol Actions
Long-chain (C16) fatty acid. Protein palmitoylation is involved in subcellular localization of many signal transduction proteins, including G proteins.
Packaging
Sealed ampule.

Sigma Aldrich - P78

Packaging
1 L in glass bottle
5, 100, 500 mL in glass bottle