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

1-heptyne
N-pentylacetylene

Supplier Sponsors

Name:hept-1-yne
CAS Number: 628-71-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-051-5
FDA UNII: Z3NF9SSH6K
Nikkaji Web:J21.022F
Beilstein Number:1733518
MDL:MFCD00009529
XlogP3-AA:3.00 (est)
Molecular Weight:96.17264000
Formula:C7 H12
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
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:0.73300 to 0.74000 @ 20.00 °C.
Pounds per Gallon - (est).: 6.106 to 6.165
Refractive Index:1.40700 to 1.41000 @ 20.00 °C.
Boiling Point: 99.70 °C. @ 760.00 mm Hg
Vapor Pressure:43.519001 mmHg @ 25.00 °C. (est)
Flash Point: 28.00 °F. TCC ( -2.22 °C. )
logP (o/w): 3.208 (est)
Soluble in:
 water, 94 mg/L @ 25 °C (exp)
 water, 94.08 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Penta International
1-HEPTYNE
Santa Cruz Biotechnology
For experimental / research use only.
1-Heptyne
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Heptyne 98%
sds
TCI AMERICA
For experimental / research use only.
1-Heptyne >97.0%(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-heptyne usage levels up to:
 not for fragrance use.
 
Recommendation for 1-heptyne 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):628-71-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12350
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
hept-1-yne
Chemidplus:0000628717
 
References:
 hept-1-yne
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:628-71-7
Pubchem (cid):12350
Pubchem (sid):134976022
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:2901.29.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
 amylacetylene
 hept-1-yne
N-pentylacetylene
 

Articles:

PubMed:Metal and precursor effect during 1-heptyne selective hydrogenation using an activated carbon as support.
PubMed:Characteristics and catalytic behavior of Pd catalysts supported on nanostructure titanate in liquid-phase hydrogenation.
PubMed:Electronic excitation of [(μ4-η2-alkyne)Rh4(CO)8(μ-CO)2]: an in situ UV/Vis spectroscopy, spectral reconstruction and DFT study.
PubMed:Near-infrared spectroscopy as a useful tool for analysis in solution in common organic solvents.
PubMed:Palladium-catalyzed stereospecific synthesis of 2,6-disubstituted tetrahydropyrans: 1,3-chirality transfer by an intramolecular oxypalladation reaction.
PubMed:Adducts of thianthrene- and phenoxathiin cation radical tetrafluoroborates to 1-alkynes. Structures and formation of 1-(5-thianthreniumyl)- and 1-(10-phenoxathiiniumyl)alkynes on alumina leading to alpha-ketoylides and alpha-ketols.
PubMed:Phase relationships and thermodynamic interactions of isotactic poly(1-butene) and organic solvent systems.
PubMed:Stereoselective synthesis of (6Z,10E,12Z)-octadeca-6,10,12-trienoic acid, (8Z,12E,14Z)-eicosa-8,12,14-trienoic acid, and their [1-14C]-radiolabeled analogs.
PubMed:Ring scission of diastereomeric 4-butylspiropentylcarbinyl radicals as a chemical model for identifying enzyme-catalyzed FAD adducts resulting from spiropentylacetyl-CoA.
PubMed:Stereoselective Total Synthesis of (+/-)-Swainsonine Based on Endo Mode Cyclization.
PubMed:Sequential substitution of 1,2-dichloro-ethene: a convenient stereoselective route to (9Z,11E)-, (10E,12Z)- and (10Z,12Z)-.
PubMed:Synthesis of 2,3,9,10,16,17,23,24-Octaalkynylphthalocyanines and the Effects of Concentration and Temperature on Their (1)H NMR Spectra.
PubMed:[Synthesis of the leukotriene A4 methyl ester via acetylene intermediates].
PubMed:[Synthesis of leukotriene A4 methyl ester via acetylene intermediates].
PubMed:Two geometrical isomers of linoleic acid: improved total syntheses.
 
Notes:
None found
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