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(E)-3-hexenal

Chemical Structure

General Material Information

Preferred name (E)-3-hexenal
Trivial Name (E)-3-Hexenal
Short Description trans-3-hexenal
Formula C6 H10 O
CAS Number 69112-21-6
ECHA Number 273-874-6
FDA UNII BS0QS8NC0S
Nikkaji Number J332.804J
Beilstein Number 1720172
xLogP3-AA 1.10 (est)
NMR Predictor External link
FDA Mainterm 69112-21-6 ; TRANS-3-HEXENAL
Synonyms
  • (3E)- hex-3-enal
  • (E)- hex-3-enal
  • trans- hex-3-enal
  • hex-3(E)-enal
  • (E)-3-hexen-1-al
  • trans-3-hexen-1-al
  • (E)-3-hexenal
  • trans-3-hexenal
  • 3-hexenal, (3E)-
  • 3-hexenal, (E)-
  • 3-hexenal, trans-
  • 3-Hexenal, (3E)-
  • 3-Hexenal, (E)-
  • (3E)-3-Hexenal
  • trans-3-Hexenal
  • (3E)-Hexenal
  • (E)-Hex-3-enal

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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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
HMDB (The Human Metabolome Database):HMDB31497
FooDB:FDB008084
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

Suppliers

Parchem

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 98.144897460938
Boiling Point 126 to 127°C @ 760 mm Hg
Vapor Pressure 11.202 mmHg @ 25 °C
Flash Point TCC Value 18.33 °C TCC
logP (o/w) 1.432 est
Solubility
alcohol Yes
water, 5261 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
natural, green, fruity, apple
General comment At 10.00 % in dipropylene glycol. natural green fruity apple

Occurrences

Potential Uses

Applications
Flavoring purposes Apple , Green
Cosmetic purposes Perfuming agents

Safety Information

Safety information

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:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 343, 1988.

Dermal Toxicity:
skin-rabbit LDLo 5000 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 343, 1988.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for (E)-3-hexenal usage levels up to:
not for fragrance use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :643139
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
(E)-hex-3-enal
Chemidplus:0069112216