isoamyl heptine carbonate

3-methylbutyl 2-octynoate

CAS: 68555-60-2 C13 H22 O2 MW: 210.31674000 green

Identification

Name	isoamyl heptine carbonate
IUPAC	3-methylbutyl oct-2-ynoate
CAS Number	68555-60-2
EINECS	271-436-9
FDA UNII	Search
Molecular Formula	C13 H22 O2
Molecular Weight	210.31674000
MDL Number	MFCD00036670
Nikkaji Number	J309.197J

Regulatory

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, 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	alcohol
Insoluble in	water
Similar Items	note

Organoleptic Properties

Odor Strength	medium
Substantivity	164 hour(s) at 100.00 %
Odor Description	at 100.00 %.
Odor sample from	Bedoukian Research, Inc.

Safety Information

Preferred SDS	View
Oral/Parenteral Toxicity	Not determined
Dermal Toxicity	Not determined
Inhalation Toxicity	Not determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Category	information only not used for fragrances or flavors
IFRA Critical Effect	Insufficient data
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.

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O0254 Isoamyl 2-Octynoate min. 97.0 %

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Potential Uses

FR foliage FR lilac FR sweet pea FR violet FR violet leaf

Natural Occurrence

not found in nature

Synonyms

iso amyl 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 Try the PubMed Search.