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ethyl heptine carbonate
2-octynoic acid, ethyl ester

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Name:ethyl oct-2-ynoate
CAS Number: 10519-20-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:234-058-5
Nikkaji Web:J212.444K
XlogP3-AA:3.50 (est)
Molecular Weight:168.23592000
Formula:C10 H16 O2
BioActivity Summary:listing
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 to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 115.00 °C. @ 16.00 mm Hg
Boiling Point: 244.00 to 245.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.031000 mmHg @ 25.00 °C. (est)
Flash Point: 209.00 °F. TCC ( 98.10 °C. ) (est)
logP (o/w): 3.729 (est)
Soluble in:
 water, 142.5 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Type: violet
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
violet leaf oily waxy
Odor Description:at 10.00 % in dipropylene glycol. violet leaf oily waxy
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
Penta International
Sigma-Aldrich: Aldrich
For experimental / research use only.
Ethyl 2-octynoate
For experimental / research use only.
Ethyl 2-Octynoate
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
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 ethyl heptine carbonate usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
Recommendation for ethyl heptine carbonate flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):10519-20-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :66338
National Institute of Allergy and Infectious Diseases:Data
ethyl oct-2-ynoate
 ethyl oct-2-ynoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:10519-20-7
Pubchem (cid):66338
Pubchem (sid):135023343
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
Potential Blenders and core components note
None Found
Potential Uses:
FRgreen leaf
FRviolet leaf
Occurrence (nature, food, other):note
 not found in nature
 ethyl 2-octynate
 ethyl 2-octynoate
 ethyl heptyne carbonate
 ethyl oct-2-ynoate
2-octynoic acid ethyl ester
2-octynoic acid, ethyl ester


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