ChemicalBook--->CAS DataBase List--->106-72-9

106-72-9

106-72-9 Structure

106-72-9 Structure
IdentificationMore
[Name]

2,6-Dimethyl-5-heptenal
[CAS]

106-72-9
[Synonyms]

2,6-Dimethyl-2-hepten-7-al
2,6-DIMETHYL-5-HEPTEN-1-AL
2,6-DIMETHYL-5-HEPTENAL
2,6-DIMETHYLHEPT-5-EN-2-AL
ELANAL
FEMA 2389
MELONAL
,6-Dimethyl hept-5-en-1-al
2,6-dimethyl-5-heptena
2,6-dimethylhept-
2,6-dimethylhept-5-en-1-al
2,6-dimethylhept-5-enal
ai3-33278
nsc78450
Dimethylheptenal
2,6-DIMETHYL-5-HEPTENAL, TECH., 80%
2 6-DIMETHYL-5-HEPTENAL FCC
dimethylheptenal,2,6-dimethyl-5-heptenal
5-Heptenal, 2,6-dimethyl-
MELONAL, NATURAL
[EINECS(EC#)]

203-427-2
[Molecular Formula]

C9H16O
[MDL Number]

MFCD00006981
[Molecular Weight]

140.22
[MOL File]

106-72-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

116-124 °C100 mm Hg(lit.)
[density ]

0.879 g/mL at 25 °C
[vapor pressure ]

2.39hPa at 25℃
[FEMA ]

2389
[refractive index ]

n20/D 1.444(lit.)
[Fp ]

141 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Liquid
[color ]

Light orange to Yellow to Green
[Specific Gravity]

0.879
[Odor]

at 1.00 % in dipropylene glycol. fresh ozone melon fresh air sweet clean green
[biological source]

synthetic
[Odor Type]

melon
[Water Solubility ]

Soluble in alcohol, paraffin oil. Insoluble in water.
[Sensitive ]

Air Sensitive
[JECFA Number]

349
[Cosmetics Ingredients Functions]

PERFUMING
SKIN CONDITIONING
[InChI]

1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
[InChIKey]

YGFGZTXGYTUXBA-UHFFFAOYSA-N
[SMILES]

CC(CC\C=C(\C)C)C=O
[LogP]

3.4
[CAS DataBase Reference]

106-72-9(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Heptenal, 2,6-dimethyl-(106-72-9)
[EPA Substance Registry System]

106-72-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317
[Precautionary statements ]

P280-P302+P352
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

1987
[WGK Germany ]

2
[RTECS ]

MJ8797000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29121900
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Skin Sens. 1B
[Safety Profile]

skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974).
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Isobutyraldehyde-->Crotonaldehyde (trans predominantly)
[Preparation Products]

Methoprene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,6-Dimethyl-2-hepten-7-al(106-72-9).msds
Hazard InformationBack Directory
[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]

Notclassified
[Trade name]

Melonal (Givaudan), Melomor (Aromor).
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Dimethyl-5-heptenal(106-72-9)1HNMR
2,6-Dimethyl-5-heptenal(106-72-9)Raman
2,6-Dimethyl-5-heptenal(106-72-9)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,6-Dimethyl-5-heptenal(106-72-9)
[Sigma Aldrich]

106-72-9(sigmaaldrich)
[TCI AMERICA]

2,6-Dimethyl-5-heptenal,>70.0%(GC)(106-72-9)
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