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isoamyl heptine carbonate
3-methylbutyl 2-octynoate

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Name:3-methylbutyl oct-2-ynoate
CAS Number: 68555-60-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:271-436-9
FDA UNII: Search
Nikkaji Web:J309.197J
XlogP3-AA:4.90 (est)
Molecular Weight:210.31674000
Formula:C13 H22 O2
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
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 mmHg @ 25.00 °C. (est)
Flash Point: 249.00 °F. TCC ( 120.56 °C. )
logP (o/w): 5.102 (est)
Soluble in:
 water, 5.609 mg/L @ 25 °C (est)
Insoluble in:
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
Santa Cruz Biotechnology
For experimental / research use only.
Isoamyl 2-octynoate
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
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:
information only not used for fragrances or flavors
IFRA Critical Effect:
Insufficient data
 View the IFRA 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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
 3-methylbutyl oct-2-ynoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):110542
Pubchem (sid):135068650
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:2916.19.5000
Potential Blenders and core components note
None Found
Potential Uses:
FRsweet pea
FRviolet leaf
Occurrence (nature, food, other):note
 not found in nature
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
None found
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