2-Hexadecanone

Names

[ CAS No. ]:
18787-63-8

[ Name ]:
2-Hexadecanone

[Synonym ]:
Hexadecan-2-one
2-Hexadecanone
EINECS 242-571-0
MFCD00042873

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
318.4±0.0 °C at 760 mmHg

[ Melting Point ]:
43-45ºC(lit.)

[ Molecular Formula ]:
C₁₆H₃₂O

[ Molecular Weight ]:
240.425

[ Flash Point ]:
82.7±13.2 °C

[ Exact Mass ]:
240.245316

[ PSA ]:
17.07000

[ LogP ]:
6.75

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.439

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MM0300000

CHEMICAL NAME :: 2-Hexadecanone

CAS REGISTRY NUMBER :: 18787-63-8

BEILSTEIN REFERENCE NO. :: 1769889

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H32-O

MOLECULAR WEIGHT :: 240.48

WISWESSER LINE NOTATION :: 14V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 19,219,1976

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
MM0300000

[ HS Code ]:
2914190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1-Hexadecene
2-Hexadecanol
(1Z,3Z,9Z)-1-Chlorohexadeca-5,7-diyne-1,3,9-trien-15-one
(1Z,3E,9Z)-1-Chlorohexadeca-5,7-diyne-1,3,9-trien-15-one
Hexadecane
ethyl 3-oxoheptadecanoate
Pentadecanoic acid
1-methanesulfinyl-hexadecan-2-one
TMS
pentadecanoyl chloride

DownStream

3-methylheptadec-1-yn-3-ol
acetic acid
Myristic acid
1-Tetradecene
Acetone
2-Hexadecanol
2-Heptadecanol
2,15-hexadecanedione
2-bromohexadecane

Customs

[ HS Code ]: 2914190090

[ Summary ]:
2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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