ChemicalBook--->CAS DataBase List--->35158-25-9

35158-25-9

35158-25-9 Structure

35158-25-9 Structure
IdentificationMore
[Name]

2-Isopropyl-5-methyl-2-hexenal
[CAS]

35158-25-9
[Synonyms]

2-ISOPROPYL-5-METHYL-2-HEXENAL
2-ISOPROPYL-5-METHYLHEX-2-ENAL
FEMA 3406
ISODIHYDRO LAVANDULAL
ISODIHYDROLAVANDULYL ALDEHYDE
(2E)-2-Isopropyl-5-methyl-2-hexenal
2-Hexen-1-al, 2-isopropyl-5-methyl-
2-Hexen-1-al, 5-methyl-2-(1-methylethyl)-
2-isopropyl-5-methyl-2-hexen-1-a
2-Isopropyl-5-methyl-2-hexen-1-al
5-methyl-2-(1-methylethyl)-2-hexen-1-a
5-methyl-2-(1-methylethyl)-2-hexena
5-methyl-2-(1-methylethyl)-2-Hexenal
METHYL JASMONATE 95+%
2-Hexenal, 5-methyl-2-(1-methylethyl)-
2-isopropyl-5-methyl-2-hexenal, cis + trans
2-ISOPROPYL-5-METHYL-HEXENE-1-AL
2-ISOPROPYL-5-METHYL-2-HEXENE-1-AL
Cacao aldehyde
5-Methyl-2-propan-2-ylhex-2-enal
[EINECS(EC#)]

252-406-4
[Molecular Formula]

C10H18O
[MDL Number]

MFCD00036616
[Molecular Weight]

154.25
[MOL File]

35158-25-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

189 °C(lit.)
[density ]

0.845 g/mL at 25 °C(lit.)
[FEMA ]

3406
[refractive index ]

n20/D 1.452(lit.)
[Fp ]

145 °F
[storage temp. ]

-20°C, stored under nitrogen
[form ]

Liquid
[color ]

A colourless oily liquid
[Odor]

at 100.00 %. herbal lavender woody green blueberry tomato
[biological source]

synthetic
[Odor Type]

herbal
[Sensitive ]

Air Sensitive
[JECFA Number]

1215
[BRN ]

1752384
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3
[InChIKey]

IOLQAHFPDADCHJ-UHFFFAOYSA-N
[SMILES]

[H]C(=O)C(=CCC(C)C)C(C)C
[LogP]

3.35
[CAS DataBase Reference]

35158-25-9(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Isopropyl-5-methylhex-2-enal(35158-25-9)
[EPA Substance Registry System]

35158-25-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H319
[Precautionary statements ]

P261-P264-P272-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

1989
[WGK Germany ]

2
[RTECS ]

MP6450000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Isodihydro lavandulal(35158-25-9).msds
Hazard InformationBack Directory
[Description]

The 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 Properties]

2-Isopropyl-5-methyl-2-hexenal has a fruity, blueberry odor.
[Occurrence]

Reported found in cocoa
[Uses]

2-Isopropyl-5-methyl-2-hexenal is used as a spice.
[Preparation]

By aldol condensation of isovaleraldehyde
[Aroma threshold values]

Aroma characteristics at 1.0%: woody, musty, nutshell-like, slightly floral and cooling with a honey and cocoa creamy nuance.
[Taste threshold values]

Taste characteristics at 10 ppm: woody, nutshell, cocoa hulls, thiazole-like creamy nuance and a fresh, fruity peachlike nuance.
[General Description]

2-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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Isopropyl-5-methyl-2-hexenal(35158-25-9)1HNMR
2-Isopropyl-5-methyl-2-hexenal(35158-25-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Isopropyl-5-methyl-2-hexenal, cis + trans, 96%(35158-25-9)
[Sigma Aldrich]

35158-25-9(sigmaaldrich)
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