decanoyl chloride

• ChemBase ID: 123370
• Molecular Formular: C10H19ClO
• Molecular Mass: 190.71026
• Monoisotopic Mass: 190.11244291
• SMILES: C(=O)(Cl)CCCCCCCCC
• Canonical SMILES: CCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
• InChIKey: IPIVAXLHTVNRBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decanoyl chloride
• IUPAC Traditional name: decanoyl chloride
• Synonyms: decanoyl chloride; Capric acid chloride; Decanoyl chloride; 正癸酰氯; 癸酰氯

Database IDs

• CAS Number: 112-13-0
• EC Number: 203-938-0
• MDL Number: MFCD00000771
• Beilstein Number: 507055
• PubChem SID: 162217723; 24848464
• PubChem CID: 66982

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1225004
• LogD (pH = 7.4): 4.1225004
• Log P: 4.1225004
• Molar Refractivity: 53.3361 cm^3
• Polarizability: 21.0741 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -35°C
• Boiling Point: 232°C; 94-96 °C/5 mmHg(lit.)
• Flash Point: 106 °C; 106°C(223°F); 222.8 °F
• Density: 0.919 g/mL at 25 °C(lit.); 0.925; 0.933 g/mL at 20 °C
• Refractive Index: 1.4410; n20/D 1.441; n20/D 1.441(lit.)
• Vapor Density: 6.57 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); X
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 22-34; 34-37
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318; H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; 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

Product Information

• Purity: ≥98.0% (GC); 90%; 98%
• Grade: purum; technical grade
• Linear Formula: CH3(CH2)8COCl

DETAILS

Sigma Aldrich - 140295

Packaging
5, 100, 500 mL in glass bottle