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(E)-squalene
trans-squalene

Supplier Sponsors

CAS Number: 111-02-4Picture of molecule3D/inchi
Other(deleted CASRN):94016-35-0
ECHA EINECS - REACH Pre-Reg:203-826-1
FDA UNII: 7QWM220FJH
Nikkaji Web:J5.103I
Beilstein Number:1728919
MDL:MFCD00008912
XlogP3-AA:11.60 (est)
Molecular Weight:410.72850000
Formula:C30 H50
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear oily liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.85500 to 0.85900 @ 20.00 °C.
Pounds per Gallon - (est).: 7.123 to 7.156
Refractive Index:1.49400 to 1.49700 @ 20.00 °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): 12.188 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 6.646e-010 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:at 100.00 %. floral
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: antistatic agents
hair conditioning
refatting agents
skin conditioning
skin conditioning - emollient
 
Suppliers:
BOC Sciences
For experimental / research use only.
(E,E,E,E)-Squalene >98%
Odor: characteristic
Use: Squalene is a natural triterpene that plays an important role in the synthesis of cholesterol, steroid hormones, and vitamin D in the human body. Squalene is commonly used as a biochemical precursor in the preparation of steroids.
Charkit Chemical
SQUALANE, SHARK
Coompo
For experimental / research use only.
Squalene from Plants ≥96%
Odor: characteristic
Use: Squalene is an intermediate metabolite in the synthesis of cholesterol. It is transported in serum generally in association with very low density lipoproteins and is distributed ubiquitously in human tissues, with the greatest concentration in the skin, where it is one of the major components of skin surface lipids. Squalene is not very susceptible to peroxidation and appears to function in the skin as a quencher of singlet oxygen, protecting human skin surface from lipid peroxidation due to exposure to UV and other sources of ionizing radiation. Squalene may also act as a "sink" for highly lipophilic xenobiotics. Since it is a nonpolar substance, it has a higher affinity for un-ionized drugs. In humans, squalene might be a useful addition to potentiate the effects of some cholesterol-lowering drugs. The primary therapeutic use of squalene currently is as an adjunctive therapy in a variety of cancers. Although epidemiological, experimental and animal evidence suggests anti-cancer properties, to date no human trials have been conducted to verify the role this nutrient might have in cancer therapy regimens.
EMD Millipore
For experimental / research use only.
Squalene
sds
Glentham Life Sciences
Squalene
Penta International
SQUALENE (OLIVE DERIVED)
Penta International
SQUALENE (SHARK DERIVED)
Santa Cruz Biotechnology
For experimental / research use only.
(E)-Squalene
Sigma-Aldrich: Sigma
For experimental / research use only.
Squalene ≥98%, liquid
sds
TCI AMERICA
For experimental / research use only.
Squalene >98.0%(GC)
sds
TRI-K Industries
MariClear Shark Squalane
Odor: characteristic
Use: MariClear Shark Squalane is an emollient derived from shark, which helps to soften and soothe the skin. It may also be used in products to correct dryness and scaling of the skin.
TRI-K Industries
OleaClear Olive Squalane
Odor: characteristic
Use: OleaClear Olive Squalane is a plant derived squalane that functions as an emollient for topical applications in creams, lotions, ointments,lipsticks, and other cosmetics.
Vevy Europe
PHYTOSQUAL
Odor: characteristic
Use: oily component used alternatively to mineral oil. It is not comedogenic nor achantotic. Emollient and lubricant.
 
Safety Information:
Preferred SDS: View
European information :
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.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mouse LD50 1800 mg/kg
Japanese Journal of Cancer Research. Vol. 76, Pg. 1021, 1985.

oral-mouse LD50 5000 mg/kg
Japanese Journal of Cancer Research. Vol. 76, Pg. 1021, 1985.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
cosmetic agents
Recommendation for (E)-squalene usage levels up to:
 not for fragrance use.
 
Recommendation for (E)-squalene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
ClinicalTrials.gov:search
Daily Med:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):111-02-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :638072
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Chemidplus:0000111024
EPA/NOAA CAMEO:hazardous materials
RTECS:XB6010000 for cas# 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:Search Inchi
Canada Domestic Sub. List:111-02-4
Pubchem (cid):638072
Pubchem (sid):134974713
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
KEGG (GenomeNet):C00751
HMDB (The Human Metabolome Database):HMDB00256
FooDB:FDB015781
YMDB (Yeast Metabolome Database):YMDB00769
Export Tariff Code:2901.29.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 antistatic agents
 emollients
 
Occurrence (nature, food, other):note
 cotton seed oil
Search Trop Picture
 fennel absolute sweet @ 0.20%
Data GC Search Trop Picture
 mugwort
Search Trop Picture
 rape seed oil
Search Trop Picture
 salvia lavandulifolia vahl. leaf oil @ 0.20%
Data GC Search Trop Picture
 vegetable oil
Search Picture
 witch hazel leaf oil @ 0.09%
Data GC Search Trop Picture
 
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
 phytosqual (Vevy)
(all-E)-spinacene
mariclear shark squalane
oleaclear olive squalane
(E,E,E,E)-squalene
trans-squalene
 squalene (olive derived)
 squalene from plants ≥96%
 squalene, olive
 
 
Notes:
Found in fish liver oils, yeast lipids and many vegetable oils, e.g. palm oil, cottonseed oil, rapeseed oil A natural raw material found in human sebum (5%) and in shark-liver oil. An unsaturated aliphatic hydrocarbon (carotenoid) with six unconjugated double bonds. (Hawley's Condensed Chemical Reference) Biological Source: Found in fish liver oils, yeast lipids and many vegetable oils, e.g. palm oil, cottonseed oil, rapeseed oil. Volatile component of scent material from Saguinus oedipus (cotton-top tamarin monkey) and Saguinus fuscicollis (saddle-back tamarin monkey). Component of adult human sebum principally responsible for the fixing of fingerprints (ChemNetBase) Squalene is a natural organic compound originally obtained for commercial purposes primarily from shark liver oil, though there are botanical sources as well, including rice bran, wheat germ, and olives. All higher organisms produce squalene, including humans. It is a hydrocarbon and a triterpene. -- Wikipedia; Squalene is a low density compound often stored in the bodies of cartilaginous fish such as sharks, which lack a swim bladder and must therefore reduce their body density with fats and oils. Squalene, which is stored mainly in the shark's liver, is lighter than water with a specific gravity of 0.855. Recently it has become a trend for sharks to be hunted to process their livers for the purpose of making squalene health capsules. Environmental and other concerns over shark hunting have motivated its extraction from vegetable sources instead.; Squalene is a low density compound often stored in the bodies of cartilaginous fishes such as sharks, which lack a swim bladder and must therefore reduce their body density with fats and oils. Squalene, which is stored mainly in the shark's liver, is lighter than water with a specific gravity of 0.855. -- Wikipedia Uses: Bactericide. Intermediate in the manufacture of pharmaceuticals, rubber chemicals and coloring materials (Physical Constants of Chemical Substances); Squalene is a natural organic compound originally obtained for commercial purposes primarily from shark liver oil, though botanic sources (primarily vegetable oils) are used as well, including amaranth seed, rice bran, wheat germ, and olives. All higher organisms produce squalene, including humans. It is a hydrocarbon and a triterpene. Squalene is a natural and vital part of the synthesis of cholesterol, steroid hormones, and vitamin D in the human body; Squalene is the biochemical precursor to the whole family of steroids. Oxidation (via squalene monooxygenase) of one of the terminal double bonds of squalene yields 2,3-squalene oxide, which undergoes enzyme-catalyzed cyclization to afford lanosterol, which is then elaborated into cholesterol and other steroids.; Squalene is the biochemical precursor to the whole family of steroids. Oxidation of one of the terminal double bonds of squalene yields 2,3-squalene oxide which undergoes enzyme-catalyzed cyclization to afford lanosterol, which is then elaborated into cholesterol and other steroids. -- Wikipedia; Vaccines originally contained a weakened or killed pathogen. Newer vaccines contain only pure proteins or protein fragments, which makes them safer. But the missing parts of the pathogen are part of the immune response. Adjuvants are used to replace those parts, and squalene is one of those adjuvants.
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