EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

hexane
pentane, methyl-

Supplier Sponsors

Name:hexane
CAS Number: 110-54-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-777-6
FDA UNII: 2DDG612ED8
Nikkaji Web:J1.977A
Beilstein Number:1730733
MDL:MFCD00009520
XlogP3:3.90 (est)
Molecular Weight:86.17758000
Formula:C6 H14
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:extraction solvents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Additive: Hexanes
FDA Mainterm (SATF):110-54-3 ; HEXANE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart D--Special Dietary and Nutritional Additives
Sec. 172.340 Fish protein isolate.


FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.560 Modified hop extract.


FDA PART 173 -- SECONDARY DIRECT FOOD ADDITIVES PERMITTED IN FOOD FOR HUMAN CONSUMPTION
Subpart C--Solvents, Lubricants, Release Agents and Related Substances
Sec. 173.270 Hexane.


FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.


FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart C--Substances for Use as Components of Coatings
Sec. 175.320 Resinous and polymeric coatings for polyolefin films.


FDA PART 176 -- INDIRECT FOOD ADDITIVES: PAPER AND PAPERBOARD COMPONENTS
Subpart B--Substances for Use Only as Components of Paper and Paperboard
Sec. 176.200 Defoaming agents used in coatings.


FDA PART 177 -- INDIRECT FOOD ADDITIVES: POLYMERS
Subpart B--Substances for Use as Basic Components of Single and Repeated Use Food Contact
Sec. 177.1200 Cellophane.


FDA PART 73 -- LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION
Subpart A--Foods
Sec. 73.295 Tagetes (Aztec marigold) meal and extract.


FDA PART 73 -- LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION
Subpart A--Foods
Sec. 73.300 Carrot oil.


FDA PART 73 -- LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION
Subpart A--Foods
Sec. 73.315 Corn endosperm oil.


FDA PART 73 -- LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION
Subpart A--Foods
Sec. 73.345 Paprika oleoresin.


FDA PART 73 -- LISTING OF COLOR ADDITIVES EXEMPT FROM CERTIFICATION
Subpart A--Foods
Sec. 73.615 Turmeric oleoresin.
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 68.00 to 69.00 °C. @ 760.00 mm Hg
Boiling Point: 68.70 °C. @ 760.00 mm Hg
Vapor Pressure:151.000000 mmHg @ 25.00 °C. (est)
Flash Point: -10.00 °F. TCC ( -23.30 °C. ) (est)
logP (o/w): 3.900
Soluble in:
 alcohol
 acetone
 ether
 water, 17.24 mg/L @ 25 °C (est)
 water, 9.5 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
solvents
 
Suppliers:
Chevron Phillips
n-Hexane, 95%
Covalent Chemical
Hexane
ECSA Chemicals
HEXANE
ECSA TRADE THE MOST UPDATED FINANCIAL PUBLICATION ON THE WORLD OF CHEMISTRY
ECSA Chemicals
N-HEXANE 95%
ECSA Chemicals
N-HEXANE 99% RS - FOR GC.MS 1 L
ECSA Chemicals
N-HEXANE RPE-ACS-FOR ANALYSIS-REAG. PH.EUR.,
ECSA Chemicals
N-HEXANE RPE-ACS-FOR ANALYSIS-REAG. PH.EUR.,
ECSA Chemicals
N-HEXANE RS-FOR HPLC-ISOCRATIC GRADE, ML 100
ECSA Chemicals
N-HEXANE RS-FOR HPLC-ISOCRATIC GRADE, ML 250
ECSA Chemicals
N-HEXANE RS-FOR OPTICAL SPECTROSCOPY, ML 100
ECSA Chemicals
N-HEXANE RS-PLUS-FOR RESIDUAL PESTICIDE ANAL
EMD Millipore
For experimental / research use only.
n-Hexane
Penta International
HEXANE 27 - 35%
Penta International
HEXANE 45-60%
Santa Cruz Biotechnology
For experimental / research use only.
N-Hexane
Sigma-Aldrich
For experimental / research use only.
Hexane for HPLC, ≥97.0% (GC)
TCI AMERICA
For experimental / research use only.
Hexane Anhydrous >96.0%(GC)
Wedor Corporation
HEXANE
 
Safety Information:
Preferred SDS: View
 
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:
oral-rat LD50 25000 mg/kg
Industrial Health. Vol. 32, Pg. 145, 1994.

intravenous-mouse LDLo 831 mg/kg
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

intravenous-rabbit LDLo 132 mg/kg
Haematologica. Vol. 58, Pg. 491, 1973.

intraperitoneal-rat LDLo 9100 mg/kg
Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC50 48000 ppm/4H
Annual Review of Pharmacology and Toxicology. Vol. 22, Pg. 145, 1982.

inhalation-human TCLo 190 ppm/8W
PERIPHERAL NERVE AND SENSATION: STRUCTURAL CHANGE IN NERVE OR SHEATH
American Journal of Industrial Medicine. Vol. 10, Pg. 111, 1986.

inhalation-mouse LCLo 120000 mg/m3
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION CARDIAC: OTHER CHANGES BEHAVIORAL: GENERAL ANESTHETIC
Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 143, Pg. 223, 1929.

 
Safety in Use Information:
Category:
extraction solvents
Recommendation for hexane usage levels up to:
 not for fragrance use.
 
Recommendation for hexane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA-Iris:IRIS
NIOSH International Chemical Safety Cards:search
NIOSH Pocket Guide:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-54-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8058
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WISER:UN 1208
WGK Germany:2
hexane
Chemidplus:0000110543
EPA/NOAA CAMEO:hazardous materials
RTECS:110-54-3
 
References:
 hexane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-54-3
Pubchem (cid):8058
Pubchem (sid):134974359
Flavornet:110-54-3
Pherobase:View
 
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
FDA Substances Added to Food (formerly EAFUS):View
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
UM BBD:Search
KEGG (GenomeNet):C11271
HMDB (The Human Metabolome Database):HMDB29600
FooDB:FDB000765
Export Tariff Code:2901.10.5000
FDA Listing of Food Additive Status:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
•the technical grade is a mixture of approx 50% n-hexane and 50% isohexane and cyclohexane. impurities are benzene (0.001%) and other aromatics (0.01%). component of light petroleum products such as gasoline. •85%, 95%, 99%, spectro, research, and nanograde.
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 solvents
 
Occurrence (nature, food, other):note
 apricot fruit
Search Trop Picture
 kiwi fruit
Search Trop Picture
 kohlrabi stem
Search Trop Picture
 
Synonyms:
 gettysolve-B
N-hexane
 hexyl hydride
 methyl pentane
 methylpentane
 pentane, methyl-
 skellysolve B
 

Articles:

PubMed:Effect of the hexane extract of Piper auritum on insulin release from β-cell and oxidative stress in streptozotocin-induced diabetic rat.
PubMed:Optimized butyl butyrate synthesis catalyzed by Thermomyces lanuginosus lipase.
PubMed:Ultrasound-assisted butyl acetate synthesis catalyzed by Novozym 435: enhanced activity and operational stability.
PubMed:Enhancement of volatile aglycone recovery facilitated by acid hydrolysis of glucosides from Nicotiana flower species.
PubMed:A comparative study on chemical composition and antioxidant activity of ginger (Zingiber officinale) and cumin (Cuminum cyminum).
PubMed:Polycyclic aromatic hydrocarbons (PAHs) in coffee brew samples: analytical method by GC-MS, profile, levels and sources.
PubMed:Lipase-catalyzed ethanolysis of milk fat with a focus on short-chain fatty acid selectivity.
PubMed:Safety assessment of Syzygium aromaticum flower bud (clove) extract with respect to testicular function in mice.
PubMed:Chemical composition of volatile extract and biological activities of volatile and less-volatile extracts of juniper berry (Juniperus drupacea L.) fruit.
PubMed:Triterpenoids from swallow roots--a convenient HPLC method for separation.
PubMed:Production of butyl acetate ester by lipase from novel strain of Rhizopus oryzae.
PubMed:Changes in flavor compounds of dry-cured Chinese Jinhua ham during processing.
PubMed:Inverse gas chromatographic method for measurement of interactions between soy protein isolate and selected flavor compounds under controlled relative humidity.
PubMed:Lipase-catalyzed production of short-chain acids terpenyl esters of interest to the food industry.
PubMed:Synthesis of flavor and fragrance esters using Candida antarctica lipase.
PubMed:Vanillin content in boiled peanuts.
PubMed:Optimized synthesis of lipase-catalyzed hexyl acetate in n-hexane by response surface methodology.
PubMed:Flavor and texture characteristics of low fat ground beef patties formulated with whey protein concentrate.
PubMed:Soy protein products: processing and use.
 
Notes:
Extraction solvent used in food production Present in volatile fractions of various plant spp. e.g. apples, orange juice, guava fruit, roasted filberts, porcini (Boletus edulis), shiitake (Lentinus edodes), heated sweet potato and sage. Also present in scallops
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