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(Z)-3-hexen-1-yl heptine carbonate

Chemical Structure

General Material Information

Preferred name (Z)-3-hexen-1-yl heptine carbonate
Trivial Name (3Z)-3-Hexen-1-yl 2-octynoate
Short Description cis-3-hexenyl 2-octynoate
Formula C14 H22 O2
CAS Number 68698-58-8
ECHA Number 272-087-5
FDA UNII Search
MDL MFCD00036654
NMR Predictor External link
Synonyms
  • [(Z)- hex-3-enyl] oct-2-ynoate
  • (Z)-3-hexen-1-yl 2-octynoate
  • cis-3-hexen-1-yl heptine carbonate
  • (Z)-3-hexen-1-yl oct-2-ynoate
  • cis-3-hexen-1-yl oct-2-ynoate
  • cis-3-hexenyl 2-octynoate
  • cis-3-hexenyl heptine carbonate
  • (Z)-3-hexenyl oct-2-ynoate
  • 2-octynoic acid, (3Z)-3-hexenyl ester
  • [(Z)-hex-3-enyl] oct-2-ynoate
  • 2-Octynoic acid, (3Z)-3-hexen-1-yl ester
  • 2-Octynoic acid, 3-hexenyl ester, (Z)-
  • 2-Octynoic acid, (3Z)-3-hexenyl ester
  • (3Z)-3-Hexen-1-yl 2-octynoate
  • cis-3-Hexenyl oct-2-ynoate

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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:2916.10
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 222.32774353027
Boiling Point 316 to 317°C @ 760 mm Hg
Vapor Pressure 0.0004 mmHg @ 25 °C
Flash Point TCC Value 137.8 °C TCC
logP (o/w) 5.428 est
Solubility
alcohol Yes
water, 2.438 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, violet
General comment At 1.00 % in dipropylene glycol. green violet

Potential Uses

Applications
Odor purposes Green, Violet

Safety Information

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 Critical Effect:
Insufficient data
View the IFRA Standard
Recommendation for (Z)-3-hexen-1-yl heptine carbonate usage levels up to:
PROHIBITED: Should not be used as a fragrance ingredient.
Recommendation for (Z)-3-hexen-1-yl 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):68698-58-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6437654
National Institute of Allergy and Infectious Diseases:Data
[(Z)-hex-3-enyl] oct-2-ynoate
Chemidplus:0068698588