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

hexylene oxide
oxirane, 2-butyl-

Supplier Sponsors

Name:2-butyloxirane
CAS Number: 1436-34-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:215-864-6
FDA UNII: Search
Nikkaji Web:J73.698H
Beilstein Number:0102568
MDL:MFCD00005154
XlogP3:1.90 (est)
Molecular Weight:100.16084000
Formula:C6 H12 O
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:0.83200 to 0.83600 @ 20.00 °C.
Pounds per Gallon - (est).: 6.931 to 6.964
Refractive Index:1.40500 to 1.40700 @ 20.00 °C.
Melting Point: 93.00 to 95.00 °C. @ 760.00 mm Hg
Boiling Point: 118.00 to 120.00 °C. @ 760.00 mm Hg
Boiling Point: 117.00 to 118.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:21.108000 mmHg @ 25.00 °C. (est)
Flash Point: 60.00 °F. TCC ( 15.56 °C. )
logP (o/w): 1.950
Soluble in:
 alcohol
 water, 2525 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
1,2-Epoxyhexane
Santa Cruz Biotechnology
For experimental / research use only.
1,2-Epoxyhexane
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,2-Epoxyhexane 97%
TCI AMERICA
For experimental / research use only.
1,2-Epoxyhexane >96.0%(GC)
 
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 hexylene oxide usage levels up to:
 not for fragrance use.
 
Recommendation for hexylene oxide flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15036
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-butyloxirane
Chemidplus:0001436346
RTECS:MO3630000 for cas# 1436-34-6
 
References:
 2-butyloxirane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15036
Pubchem (sid):134979497
 
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:2910.90.9000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butyl oxirane
2-butyloxirane
N-butyloxirane
 epoxy-N-hexane
(rac)-1,2-epoxyhexane
1,2-epoxyhexane
 hexane, 1,2-epoxy-
 hexene 1,2-oxide
1-hexene epoxide
1,2-hexene oxide
 oxirane, 2-butyl-
 

Articles:

PubMed:Fabrication of monometallic nanoparticles using alkyl-terminated hyperbranched polyglycidols as a stabilizer and reducer.
PubMed:Cold processed oil-in-water emulsions for dermatological purpose: formulation design and structure analysis.
PubMed:Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.
PubMed:Development of a whole-cell biocatalyst co-expressing P450 monooxygenase and glucose dehydrogenase for synthesis of epoxyhexane.
PubMed:Structure-property relationship in new photo-cured dimethacrylate-based dental resins.
PubMed:Cloning and characterization of an epoxide hydrolase from Cupriavidus metallidurans-CH34.
PubMed:Diffusion in ternary aqueous systems containing human serum albumin and precipitants of different classes.
PubMed:Synthesis and characterization of novel dimethacrylates of different chain lengths as possible dental resins.
PubMed:Olefin metathesis as a tool for multinuclear Co(III)salen catalyst construction: access to cooperative catalysts.
PubMed:An exploration of the coupling reactions of epoxides and carbon dioxide catalyzed by tetramethyltetraazaannulene chromium(III) derivatives: formation of copolymers versus cyclic carbonates.
PubMed:New method for determination of epichlorohydrin in epoxy-coated cans by oxolane derivatization and gas chromatography-mass spectrometry.
PubMed:The structures of transcription factor CGL2947 from Corynebacterium glutamicum in two crystal forms: a novel homodimer assembling and the implication for effector-binding mode.
PubMed:Aqueous self-assembly of phytantriol in ternary systems: effect of monoolein, distearoylphosphatidylglycerol and three water-miscible solvents.
PubMed:Improved catalytic activity of homochiral dimeric cobalt-salen complex in hydrolytic kinetic resolution of terminal racemic epoxides.
PubMed:Protein engineering of epoxide hydrolase from Agrobacterium radiobacter AD1 for enhanced activity and enantioselective production of (R)-1-phenylethane-1,2-diol.
PubMed:Active site engineering of the epoxide hydrolase from Agrobacterium radiobacter AD1 to enhance aerobic mineralization of cis-1,2-dichloroethylene in cells expressing an evolved toluene ortho-monooxygenase.
PubMed:A redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 A resolution using sulfur-SAS at 1.54 A wavelength.
PubMed:Directed evolution of epoxide hydrolase from A. radiobacter toward higher enantioselectivity by error-prone PCR and DNA shuffling.
PubMed:Exclusion of alcohols from spermidine-DNA assemblies: probing the physical basis of preferential hydration.
PubMed:Observation of additional calcium ion in the crystal structure of the triple mutant K56,120,121M of bovine pancreatic phospholipase A2.
PubMed:The 1.19 A X-ray structure of 2'-O-Me(CGCGCG)(2) duplex shows dehydrated RNA with 2-methyl-2,4-pentanediol in the minor groove.
PubMed:Continuous production of enantiopure 1,2-epoxyhexane by yeast epoxide hydrolase in a two-phase membrane bioreactor.
PubMed:Cloning and characterization of an epoxide hydrolase-encoding gene from Rhodotorula glutinis.
PubMed:Resolution of 1,2-epoxyhexane by Rhodotorula glutinis using a two-phase membrane bioreactor.
PubMed:Isolation and characterization of the epoxide hydrolase-encoding gene from Xanthophyllomyces dendrorhous.
PubMed:A glutathione S-transferase with activity towards cis-1, 2-dichloroepoxyethane is involved in isoprene utilization by Rhodococcus sp. strain AD45.
PubMed:Comparison of the solution and crystal conformations of (G + C)-rich fragments of DNA.
PubMed:Contribution of the surface free energy perturbation to protein-solvent interactions.
PubMed:Crystal structure of thioredoxin from Escherichia coli at 1.68 A resolution.
PubMed:Oxygen consumption by tumor cells during membrane vesicle shedding.
PubMed:Possible role of microtubules in tumor cell surface membrane shedding, permeability, and lympholysis.
 
Notes:
None found
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