2-Isopropyl-5-methyl-2-hexenal

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2-Isopropyl-5-methyl-2-hexenal Basic information
Product Name:2-Isopropyl-5-methyl-2-hexenal
Synonyms:2-ISOPROPYL-5-METHYL-HEXENE-1-AL;2-ISOPROPYL-5-METHYL-2-HEXENE-1-AL;5-methyl-2-(1-methylethyl)-2-Hexenal;ISODIHYDRO LAVANDULAL;METHYL JASMONATE 95+%;2-Hexenal, 5-methyl-2-(1-methylethyl)-;2-isopropyl-5-methyl-2-hexenal, cis + trans;2-ISOPROPYL-5-METHYL-2-HEXENAL
CAS:35158-25-9
MF:C10H18O
MW:154.25
EINECS:252-406-4
Product Categories:Alphabetical Listings;Flavors and Fragrances;I-L
Mol File:35158-25-9.mol
2-Isopropyl-5-methyl-2-hexenal Structure
2-Isopropyl-5-methyl-2-hexenal Chemical Properties
Boiling point 189 °C(lit.)
density 0.845 g/mL at 25 °C(lit.)
refractive index n20/D 1.452(lit.)
FEMA 3406 | 2-ISOPROPYL-5-METHYL-2-HEXENAL
Fp 145 °F
storage temp. -20°C, stored under nitrogen
form Liquid
color A colourless oily liquid
Odorat 100.00 %. herbal lavender woody green blueberry tomato
Odor Typeherbal
biological sourcesynthetic
Sensitive Air Sensitive
JECFA Number1215
BRN 1752384
Major Applicationflavors and fragrances
Cosmetics Ingredients FunctionsPERFUMING
InChI1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3
InChIKeyIOLQAHFPDADCHJ-UHFFFAOYSA-N
SMILES[H]C(=O)C(=CCC(C)C)C(C)C
LogP3.35
CAS DataBase Reference35158-25-9(CAS DataBase Reference)
NIST Chemistry Reference2-Isopropyl-5-methylhex-2-enal(35158-25-9)
EPA Substance Registry System2-Hexenal, 5-methyl-2-(1-methylethyl)- (35158-25-9)
Safety Information
Hazard Codes Xi
Risk Statements 10-36/37/38
Safety Statements 16-26-36
RIDADR 1989
WGK Germany 2
RTECS MP6450000
TSCA TSCA listed
HazardClass 3
PackingGroup III
Storage Class10 - Combustible liquids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
toxicityBoth the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
MSDS Information
ProviderLanguage
Isodihydro lavandulal English
SigmaAldrich English
ALFA English
2-Isopropyl-5-methyl-2-hexenal Usage And Synthesis
DescriptionThe derivatives are concrete and absolute. The concrete is prepared in approximately 1.5 to 2.0% yields by solvent extraction (ben zene, petroleum ether) of the freshly cut flowering herb. It is a dark-green, viscous mass. An absolute is obtained in approxi mately 45% yields by distillation of the concrete with diethylene glycol.
Chemical Properties2-Isopropyl-5-methyl-2-hexenal has a fruity, blueberry odor.
OccurrenceReported found in cocoa
Uses2-Isopropyl-5-methyl-2-hexenal is used as a spice.
PreparationBy aldol condensation of isovaleraldehyde
Aroma threshold valuesAroma characteristics at 1.0%: woody, musty, nutshell-like, slightly floral and cooling with a honey and cocoa creamy nuance.
Taste threshold valuesTaste characteristics at 10 ppm: woody, nutshell, cocoa hulls, thiazole-like creamy nuance and a fresh, fruity peachlike nuance.
General Description2-Isopropyl-5-methyl-2-hexenal is a volatile aroma constituent of malted barley and roasted coffee beans. It can be formed via Maillard reaction between leucine and 3-methylbutanal.
2-Isopropyl-5-methyl-2-hexenal Preparation Products And Raw materials
Raw materialsSodium carbonate-->Isovaleraldehyde-->alkali
Tag:2-Isopropyl-5-methyl-2-hexenal(35158-25-9) Related Product Information
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