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

isoamyl heptine carbonate
3-methylbutyl 2-octynoate

Sponsors

Name:3-methylbutyl oct-2-ynoate
CAS Number: 68555-60-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:271-436-9
Nikkaji Web:J309.197J
MDL:MFCD00036670
XlogP3-AA:4.90 (est)
Molecular Weight:210.31674000
Formula:C13 H22 O2
NMR Predictor:Predict (works with chrome 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
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.89400 to 0.89700 @ 20.00 °C.
Pounds per Gallon - (est).: 7.448 to 7.473
Refractive Index:1.44900 to 1.45200 @ 20.00 °C.
Boiling Point: 292.00 to 294.00 °C. @ 760.00 mm Hg
Boiling Point: 148.00 to 149.00 °C. @ 20.00 mm Hg
Vapor Pressure:0.002000 mm/Hg @ 25.00 °C. (est)
Flash Point: 249.00 °F. TCC ( 120.56 °C. )
logP (o/w): 5.102 (est)
Soluble in:
 alcohol
 water, 5.609 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl heptine carbonate
butyl heptine carbonate
methyl heptine carbonate
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
Substantivity:164 hour(s) at 100.00 %
sweet leafy violet green
Odor Description:at 100.00 %. sweet leaf violet green
Luebke, William tgsc, (1988)
Odor sample from: Bedoukian Research, Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
Isoamyl 2-octynoate
TCI AMERICA
For experimental / research use only.
Isoamyl 2-Octynoate min. 97.0 %
 
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
IFRA: View Standard
Recommendation for isoamyl heptine carbonate usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for isoamyl heptine carbonate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68555-60-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :110542
National Institute of Allergy and Infectious Diseases:Data
3-methylbutyl oct-2-ynoate
Chemidplus:0068555602
 
References:
 3-methylbutyl oct-2-ynoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):110542
Pubchem (sid):135068650
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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:2916.19.5000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 foliage
FRlilac
FRsweet pea
 violet
FRviolet leaf
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isoamyl 2-octynoate
 amyl heptin carbonate
3-methyl butyl 2-octynoate
3-methyl butyl oct-2-ynoate
3-methylbutyl 2-octynoate
3-methylbutyl oct-2-ynoate
2-octynoic acid 3-methyl butyl ester
2-octynoic acid 3-methylbutyl ester
2-octynoic acid isoamyl ester
2-octynoic acid, 3-methylbutyl ester
 

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