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ethyl heptine carbonate

Chemical Structure

General Material Information

Preferred name ethyl heptine carbonate
Trivial Name Ethyl 2-octynoate
Short Description 2-octynoic acid, ethyl ester
Formula C10 H16 O2
CAS Number 10519-20-7
ECHA Number 234-058-5
FDA UNII XTH780U0N3
Nikkaji Number J212.444K
MDL MFCD00015286
xLogP3-AA 3.50 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • ethyl 2-octynate
  • ethyl 2-octynoate
  • ethyl heptyne carbonate
  • ethyl oct-2-ynoate
  • ethyloct-2-ynoate
  • 2-octynoic acid ethyl ester
  • 2-octynoic acid, ethyl ester
  • 2-Octynoic acid, ethyl ester
  • NSC 74485
  • Ethyl pentylpropiolate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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:2916.19.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.2359161377
Boiling Point 244 to 245°C @ 760 mm Hg
Vapor Pressure 0.031 mmHg @ 25 °C
Flash Point TCC Value 98.1 °C TCC
logP (o/w) 3.729 est
Solubility
alcohol Yes
water, 142.5 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Violet
violet leaf, oily, waxy
General comment At 10.00 % in dipropylene glycol. violet leaf oily waxy

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 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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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
Chemidplus:0010519207