(E)-squalene
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IUPAC name :(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
InChI :InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey :YYGNTYWPHWGJRM-FLHYQJCXBN
SMILES :CC(=CCC/C(=C/CC/C(=C/CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C)/C)/C)C
cas number :111-02-4
(EINECS) number :203-826-1
beilstein number :1728919
molar refractivity :140.43 ± 0.3 cm3
parachor :1126.0 ± 4.0 cm3
index of refraction :1.491 ± 0.02
surface tension :29.2 ± 3.0 dyne/cm
density :0.848 ± 0.06 g/cm3
polarizability :55.67 ± 0.5 10-24cm3
XlogP : 8.30
molecular weight : 410.7180000 (IUPAC)
formula :C30 H50
NMR Predictor :Predict
 
 
export tariff code :2901.29.5000
fda reg :unspecified

Suppliers :
Penta :squalene

organoleptics :
odor description:
at 100.00 %.  
floral

properties :
appearence :colorless to pale yellow clear oily liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85800 @ 25.00 °C.
melting point : -75.00 °C. @ 760.00 mm Hg
boiling point : 429.00 to 430.00 °C. @ 760.00 mm Hg
boiling point : 285.00 °C. @ 25.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 14.12
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Oral-Mouse    5000.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 

safety references :
EPI System :view
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
(EINECS) number :203-826-1
RTECS :XB6010000 for cas# 111-02-4
chemidplus :000111024
EPA Substance Registry Services :111-02-4

references :
 
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
NIST Chemistry WebBook :3462159090
pubchem :151213

Cosmetics :
Cosmetic uses : antistatic agents
emollients
hair conditioning
refatting agents
skin conditioning

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Dietary Supplements Labels Database : Search
synonyms :
(6Z,10E,14E,18E)- 2,6,10,15,19,23-hexamethyl tetracosa-2,6,10,14,18,22-hexaene
(all-E)- 2,6,10,15,19,23-hexamethyl tetracosa-2,6,10,14,18,22-hexaene
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
(all-E)-spinacene
(E,E,E,E)-squalene

soluble in :
 alcohol

insoluble in :
 water

potential uses :
 antistatic agents
 emollients

natural occurrence in :
 cottonseed oil S
data pagefennel absolute sweet @ 0.20% S
 rapeseed oil S
 vegetable oil  
data pagewitch hazel leaf oil @ 0.09% S



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