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

hexyl sulfide
1,1'-thiobishexane

Supplier Sponsors

CAS Number: 6294-31-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:228-556-1
FDA UNII: QGW37917VO
Nikkaji Web:J81.179C
MDL:MFCD00009528
XlogP3-AA:5.50 (est)
Molecular Weight:202.40422000
Formula:C12 H26 S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
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:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.84300 to 0.84600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.023 to 7.048
Refractive Index:1.45700 to 1.45900 @ 20.00 °C.
Boiling Point: 230.00 °C. @ 760.00 mm Hg
Boiling Point: 265.00 to 266.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.102000 mmHg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 6.072 (est)
Soluble in:
 water, 0.4465 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
DeLong Chemicals America
Dihexyl sulfide 99%
Endeavour Specialty Chemicals
Di-n-hexyl sulphide
Speciality Chemical Product Groups
Robinson Brothers
Di-n-hexyl sulphide
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Hexyl sulfide
Sigma-Aldrich: Aldrich
For experimental / research use only.
Hexyl sulfide 95%
sds
TCI AMERICA
For experimental / research use only.
Hexyl Sulfide >98.0%(GC)
sds
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for hexyl sulfide usage levels up to:
 not for fragrance use.
 
Recommendation for hexyl sulfide flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):6294-31-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :80517
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3334
WGK Germany:3
1-hexylsulfanylhexane
Chemidplus:0006294311
 
References:
 1-hexylsulfanylhexane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):80517
Pubchem (sid):135037776
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.9190
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 di-N-hexyl sulfide
 di-N-hexylsulfide
 dihexyl sulfide
 dihexyl sulphide
 hexane, 1,1'-thiobis-
1-hexyl sulfanyl hexane
N-hexyl sulfide
1-(hexylsulfanyl)hexane
1-hexylsulfanylhexane
 hexylthiohexane
7-thiatridecane
1,1'-thiobishexane
 

Articles:

PubMed:Combining experiment and theory to elucidate the role of supercritical water in sulfide decomposition.
PubMed:Hydrogen sulfide suppresses oxidized low-density lipoprotein (ox-LDL)-stimulated monocyte chemoattractant protein 1 generation from macrophages via the nuclear factor κB (NF-κB) pathway.
PubMed:Hydrogen sulfide regulates Ca(2+) homeostasis mediated by concomitantly produced nitric oxide via a novel synergistic pathway in exocrine pancreas.
PubMed:S-sulfhydration/desulfhydration and S-nitrosylation/denitrosylation: a common paradigm for gasotransmitter signaling by H2S and NO.
PubMed:Relationships between harvest time and wine composition in Vitis vinifera L. cv. Cabernet Sauvignon 1. Grape and wine chemistry.
PubMed:Contributions of a disulfide bond and a reduced cysteine side chain to the intrinsic activity of the high-density lipoprotein receptor SR-BI.
PubMed:CdS-decorated ZnO nanorod heterostructures for improved hybrid photovoltaic devices.
PubMed:Isothiocyanates from Wasabia japonica activate transient receptor potential ankyrin 1 channel.
PubMed:Gastrointestinal-sparing effects of novel NSAIDs in rats with compromised mucosal defence.
PubMed:Ruthenium(II) thiol and H2S complexes: synthesis, characterization, and thermodynamic properties.
PubMed:Alloxazine-cyclodextrin conjugates for organocatalytic enantioselective sulfoxidations.
PubMed:Nitric oxide activates Nrf2 through S-nitrosylation of Keap1 in PC12 cells.
PubMed:Screening systems for the identification of S-nitrosylated proteins.
PubMed:LC-MS/MS determination of carbamathione in microdialysis samples from rat brain and plasma.
PubMed:The garlic ingredient diallyl sulfide induces Ca(2+) mobilization in Madin-Darby canine kidney cells.
PubMed:Enhancement of the photovoltaic performance in PbS nanocrystal:P3HT hybrid composite devices by post-treatment-driven ligand exchange.
PubMed:Is ascorbate able to reduce disulfide bridges? A cautionary note.
PubMed:CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine.
PubMed:Resistance of surface-confined telomers with pendent glucosylurea groups against non-specific adsorption of proteins.
PubMed:An EQCM study of the electropolymerization of benzene in an ionic liquid and ion exchange characteristics of the resulting polymer film.
PubMed:The Saccharomyces cerevisiae proteome of oxidized protein thiols: contrasted functions for the thioredoxin and glutathione pathways.
PubMed:Brain PP2A is modified by thiol-disulfide exchange and intermolecular disulfide formation.
PubMed:Effects of dietary chemopreventive phytochemicals on P-glycoprotein function.
PubMed:Involvement of phosphatidic acid in both degranulation and oxidative activity in fMet-Leu-Phe stimulated polymorphonuclear leukocytes.
PubMed:Kinetics of coupling reactions that generate monothiophosphate disulfides: implications for modification of RNAs.
PubMed:Plant-natural enemy association in tritrophic system,Cotesia rubecula-Pieris rapae-brassicaceae (Cruciferae). III: Collection and identification of plant and frass volatiles.
PubMed:Biotransformation of organic sulfides--IV. Formation of chiral benzyl alkyl and phenyl alkyl sulfoxides by Helminthosporium species NRRL 4671.
PubMed:[Actions of new iminium compounds against bacteria and fungi. 30. 3-alkoxymethyl-1-hexyl-, 3-alkylthiomethyl-1-hexyl-, 3-alkoxymethyl-1-octyl- and 3-alkylthiomethyl-1-octylbenzimidazolium chlorides].
PubMed:[Synthesis and action of 1-n-hexyl-2-phenyl-3-(n-alkoxymethyl)- and 1-n-hexyl-2-phenyl-3-(6-n-alkylthiomethyl)imidazolium chlorides].
PubMed:Purification and characterization of human C1-esterase inhibitor.
 
Notes:
None found
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