Squalene

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Names

[ CAS No. ]:
111-02-4

[ Name ]:
Squalene

[Synonym ]:
Squalene, all-trans-
(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
(E,E,E,E)-Squalene
2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
(all-E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
Squalene
triacontahexaene
Spinacen
EINECS 203-826-1
Supraene
MFCD00008912
2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-
SQUALENE OIL
SPINACENE
SQUALENE WITH GC
(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
Squalen
2,6,10,15,19,23-Hexamethyltetracosa-(2E,6E,10E,14E,18E,22E)-2,6,10,14,18,22-hexaene
trans-Spinacene

Chemical & Physical Properties

[ Density]:
0.8±0.1 g/cm3

[ Boiling Point ]:
429.3±0.0 °C at 760 mmHg

[ Melting Point ]:
−75 °C(lit.)

[ Molecular Formula ]:
C30H50

[ Molecular Weight ]:
410.718

[ Flash Point ]:
254.1±22.2 °C

[ Exact Mass ]:
410.391266

[ LogP ]:
13.09

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.492

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
<0.1 g/100 mL at 19 ºC

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XB6010000
CHEMICAL NAME :
2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-
CAS REGISTRY NUMBER :
111-02-4
LAST UPDATED :
199701

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 76,1021,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB 211, 1000 AE Amsterdam, Netherlands) V.76- 1985- Volume(issue)/page/year: 76,1021,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9556 No. of Facilities: 20 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 737 (estimated) No. of Female Employees: 717 (estimated)

Safety Information

[ Symbol ]:

GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H304

[ Precautionary Statements ]:
P301 + P310-P331

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
F

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
XB6010000

[ Packaging Group ]:
II; III

[ Hazard Class ]:
4.1

[ HS Code ]:
29012980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • [(6E,10E,14E,18E)-13-(1-ethoxyethoxy)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-12-yl]sulfonylbenzene
  • 2,3-Oxidosqualene
  • (E,E)-3,7,11-trimethyl-2,6,10-dodecatrienyl bromide
  • farnesyl chloride
  • (2E,6E)-Farnesol
  • (2E,6E)-3,7,11-trimethyl-1-(p-tolylsulfonyl)dodeca-2,6,10-triene
  • (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
  • (E,E)-farnesyl phenyl sulfone
  • Geranyl bromide

DownStream

  • (R)-(+)-Methylsuccinic Acid
  • menth-1-ene
  • Geranylacetone
  • 6-Methylhept-5-en-2-one
  • (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-al
  • (4E,8E,12E)-4,9,13,17-Tetramethyloctadeca-4,8,12,16-tetraen-1-al
  • 2-Heptanone, 6-methyl-
  • 2-Methylbut-2-ene
  • Levulinic acid
  • ACETONEPEROXIDES

Customs

[ HS Code ]: 2901299090

[ Summary ]:
2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

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