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2,6-Dimethyl-5-heptenal

2,6-Dimethyl-5-heptenal Property

Boiling point 116-124 °C100 mm Hg(lit.)
Density 0.879 g/mL at 25 °C
vapor pressure 2.39hPa at 25℃
refractive index n20/D 1.444(lit.)
FEMA 2389 | 2,6-DIMETHYL-5-HEPTENAL
Flash point 141 °F
storage temp. under inert gas (nitrogen or Argon) at 2-8°C
form Liquid
Specific Gravity 0.879
color Light orange to Yellow to Green
Odor at 1.00 % in dipropylene glycol. fresh ozone melon fresh air sweet clean green
Odor Type melon
biological source synthetic
Water Solubility Soluble in alcohol, paraffin oil. Insoluble in water.
Sensitive Air Sensitive
JECFA Number 349
InChIKey YGFGZTXGYTUXBA-UHFFFAOYSA-N
LogP 3.4
CAS DataBase Reference 106-72-9(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 2,6-DIMETHYL-5-HEPTENAL
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII Z331YX9EL9
NIST Chemistry Reference 5-Heptenal, 2,6-dimethyl-(106-72-9)
EPA Substance Registry System 5-Heptenal, 2,6-dimethyl- (106-72-9)
UNSPSC Code 12352100
NACRES NA.22

Safety

Hazard Codes :Xi
Risk Statements :36/37/38
Safety Statements :26-36/37/39
RIDADR :1987
WGK Germany :2
RTECS :MJ8797000
Hazard Note :Irritant
TSCA :Yes
HazardClass :3
PackingGroup :III
HS Code :29121900
Toxicity :Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg (Levenstein, 1974).

NFPA 704:

Hazard and Precautionary Statements (GHS)

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2,6-Dimethyl-5-heptenal Chemical Properties,Usage,Production

Chemical Properties 2,6-Dimethyl-5-hepten-1-al was identified in ginger. It is a yellow liquid with a powerful, green, cucumber-like, and melon odor. It can be prepared by Darzens reaction of 6-methyl-5-hepten-2-one with ethyl chloroacetate. The intermediate glycidate is saponified and decarboxylated to yield the title compound.
It is used in many fragrance types and is invaluable in the creation ofmelon and cucumber notes.
Chemical Properties 2,6-Dimethyl-5-heptenal has a characteristic odor of melon and a corresponding taste.
Occurrence Reported found in lemon and lime peel oil, sudachi (Citrus sudachi H. ex. Shirai) and ginger.
Uses It is used or fragrances designed to have a special fruity note tending towards melon, cucumber and pumpkin. It is mainly used perfuming agents.
Preparation By condensation of isobutyric aldehyde with α-methylcrotonaldehyde, followed by par tial hydrogenation; also from methylheptenone through Darzen's reaction.
Aroma threshold values Detection: 16 ppb
Taste threshold values Taste characteristics at 50 ppm: green, melon, watermelon-rind, cucumber, with a waxy, chemical and floral nuance.
General Description 2,6-Dimethyl-5-heptenal (melonal) and 5-heptenal undergo concerted ene reaction to form zwitterion that further reacts to give ene product.
Flammability and Explosibility Not classified
Trade name Melonal (Givaudan), Melomor (Aromor).
Safety Profile skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.