2-Hexadecanone supplier | CasNO.18787-63-8

Name
2-HEXADECANONE
EINECS 242-571-0
CAS No. 18787-63-8
Article Data31
CAS DataBase
Density 0.829 g/cm³
Solubility
Melting Point 43-45 °C(lit.)
Formula C₁₆H₃₂O
Boiling Point 318.4 °C at 760 mmHg
Molecular Weight 240.429
Flash Point 82.7 °C
Transport Information
Appearance colorless crystals
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Hexadecanone;ketone, methyl tetradecyl;
PSA 17.07000
LogP 5.66660

2-Hexadecanone Specification

The 2-Hexadecanone, with the CAS registry number 18787-63-8, is also known as ketone, methyl tetradecyl. Its molecular formula is C₁₆H₃₂O and its IUPAC name is hexadecan-2-one. Additionally, its classification code is Drug / Therapeutic Agent. However, his chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the 2-Hexadecanone can be summarised as followings: (1)ACD/LogP: 6.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.75; (4)ACD/LogD (pH 7.4): 6.75; (5)ACD/BCF (pH 5.5): 79465.47; (6)ACD/BCF (pH 7.4): 79465.47; (7)ACD/KOC (pH 5.5): 111976.8; (8)ACD/KOC (pH 7.4): 111976.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.438; (14)Molar Refractivity: 76.2 cm³; (15)Molar Volume: 289.7 cm³; (16)Polarizability: 30.2×10^-24cm³; (17)Surface Tension: 29.2 dyne/cm; (18)Density: 0.829 g/cm³; (19)Flash Point: 82.7 °C; (20)Enthalpy of Vaporization: 55.99 kJ/mol; (21)Boiling Point: 318.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000362 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(CCCCCCCCCCCCCC)C
2.InChI: InChI=1/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
3.InChIKey: XCXKZBWAKKPFCJ-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	unreported	1750mg/kg (1750mg/kg)		Journal of Medicinal Chemistry. Vol. 19, Pg. 219, 1976.

Product Name

2-HEXADECANONE

2-Hexadecanone Specification

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