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

1,5-hexadiyne
hexa-1,5-diyne

Supplier Sponsors

Name:hexa-1,5-diyne
CAS Number: 628-16-0Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-029-5
FDA UNII: Z4BAA98LQQ
Nikkaji Web:J6.875F
Beilstein Number:505961
MDL:MFCD00014924
XlogP3-AA:1.40 (est)
Molecular Weight:78.11382000
Formula:C6 H6
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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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:0.79900 to 0.80300 @ 20.00 °C.
Pounds per Gallon - (est).: 6.656 to 6.690
Refractive Index:1.44000 to 1.44400 @ 20.00 °C.
Boiling Point: 86.00 °C. @ 760.00 mm Hg
Vapor Pressure:75.300000 mmHg @ 25.00 °C. (est)
Flash Point:< -30.00 °F. TCC ( < -34.44 °C. )
logP (o/w): 1.500 (est)
Soluble in:
 water, 1239 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,5-Hexadiyne-3-ene content; 49.0∼51.0%
Santa Cruz Biotechnology
For experimental / research use only.
1,5-Hexadiyne, 50% in pentane
TCI AMERICA
For experimental / research use only.
1,5-Hexadiyne (stabilized with BHT) >95.0%(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:
natural substances and extractives
Recommendation for 1,5-hexadiyne usage levels up to:
 not for fragrance use.
 
Recommendation for 1,5-hexadiyne 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):628-16-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :69402
National Institute of Allergy and Infectious Diseases:Data
hexa-1,5-diyne
Chemidplus:0000628160
 
References:
 hexa-1,5-diyne
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):69402
Pubchem (sid):135028284
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.29.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 hexa-1,5-diyne
 

Articles:

PubMed:[12]Annulynes from 1,5-hexadiyne and potassium tert-butoxide? Franz sondheimer's hexadienynes!
PubMed:First total synthesis of (5Z,9Z)-(+/-)-2-methoxy-5,9-octadecadienoic acid, a marine derived methoxylated analog of taxoleic acid.
PubMed:Reactions involving di-trans-[12]annulenes.
PubMed:2,6-hexadecadiynoic acid and 2,6-nonadecadiynoic acid: novel synthesized acetylenic fatty acids as potent antifungal agents.
PubMed:Conformation-specific spectroscopy of 3-benzyl-1,5-hexadiyne.
PubMed:Isomeric product distributions from the self-reaction of propargyl radicals.
PubMed:UV-absorption spectra of the radical transients generated from the 193-nm photolysis of allene, propyne, and 2-butyne.
PubMed:Shock tube pyrolysis of 1,2,4,5-hexatetraene.
PubMed:An optimized semidetailed submechanism of benzene formation from propargyl recombination.
PubMed:[12]Annulynes.
PubMed:Total synthesis and biological evaluation of (5Z,9Z)-5,9-hexadecadienoic acid, an inhibitor of human topoisomerase I.
 
Notes:
None found
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