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W340618

Sigma-Aldrich

2-Isopropyl-5-methyl-2-hexenal

≥95%, stabilized, FG

Synonym(s):

5-methyl-2-propan-2-ylhex-2-enal, Isodihydrolavandulal

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About This Item

Linear Formula:
(CH3)2CHCH2CH=C[CH(CH3)2]CHO
CAS Number:
35158-25-9
Molecular Weight:
154.25
FEMA Number:
3406
EC Number:
252-406-4
Council of Europe no.:
10361
MDL number:
MFCD00036616
UNSPSC Code:
12164502
PubChem Substance ID:
24901526
Flavis number:
5.107
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002

Assay

≥95%

contains

α-tocopherol as stabilizer

refractive index

n20/D 1.452 (lit.)

bp

189 °C (lit.)

density

0.845 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

green; lavender; woody; herbaceous

SMILES string

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

InChI

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

InChI key

IOLQAHFPDADCHJ-UHFFFAOYSA-N

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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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H317,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1

WGK

WGK 2

Flash Point(F)

145.4 °F

Flash Point(C)

63 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Compounds contributing to the characteristic aroma of malted barley.
Beal AD & Mottram DS.
Journal of Agricultural and Food Chemistry, 42(12), 2880-2884 (1994)
Effects of pH, temperature, and reactant molar ratio on L-leucine and D-glucose Maillard browning reaction in an aqueous system.
Renn PT & Sathe SK
Journal of Agricultural and Food Chemistry, 45(10), 3782-3787 (1997)
Justyna Aszyk et al.
Journal of chromatography. A, 1547, 86-98 (2018-03-15)
Many flavour compounds that are present in e-liquids for e-cigarettes are responsible for specific tastes and smoking sensations for users. Data concerning content and specific types of flavours is often limited and unknown to users. The aim of the research
Steam volatile aroma constituents of roasted cocoa beans.
Van Praag M, et al.
Journal of Agricultural and Food Chemistry, 16(6), 1005-1008 (1968)

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