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Safety Information

W352403

Sigma-Aldrich

3,5,5-Trimethylhexanal

≥95%, FG

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Synonym(s):
Green hexanal
Linear Formula:
(CH3)3CCH2CH(CH3)CH2CHO
CAS Number:
5435-64-3
Molecular Weight:
142.24
FEMA Number:
3524
EC Number:
226-603-0
Council of Europe no.:
10384
MDL number:
MFCD00010441
UNSPSC Code:
12164502
PubChem Substance ID:
24901761
Flavis number:
5.116
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002

Assay

≥95%

refractive index

n20/D 1.421 (lit.)

bp

67-68 °C/2.5 mmHg (lit.)

density

0.817 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

earthy

SMILES string

CC(CC=O)CC(C)(C)C

InChI

1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3

InChI key

WTPYRCJDOZVZON-UHFFFAOYSA-N

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Related Categories

General description

3,5,5-Trimethylhexanal is an aliphatic aldehyde mainly used as an internal standard to quantify the volatile aldehydes in the root tissues of plants.

Application


  • Analysis, occurrence and potential sensory significance of aliphatic aldehydes in white wines.: Culleré et al. (2011) explore the presence and sensory impact of aliphatic aldehydes, including 3,5,5-trimethylhexanal, in white wines. The study highlights the role of these compounds in contributing to the aroma and flavor profiles of wines, emphasizing their importance in food chemistry and sensory science (Culleré et al., 2011).

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H317,H412

Hazard Classifications

Aquatic Chronic 3 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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Barley (Hordeum distichon L.) roots synthesise volatile aldehydes with a strong age-dependent pattern and release (E)-non-2-enal and (E, Z)-nona-2, 6-dienal after mechanical injury.
Delory BM, et al.
Plant Physiology and Biochemistry, 104, 134-145 (2016)
Foraging wireworms are attracted to root-produced volatile aldehydes.
Barsics F, et al.
Journal of pest science, 90(1), 69-76 (2017)
Xinyi Zhang et al.
Journal of agricultural and food chemistry, 67(12), 3502-3510 (2019-02-28)
This work outlines a rapid novel methodology for the direct quantitation of 12 volatile aldehyde compounds related to oxidative off-flavors in wine, by measuring the combined free and hydrogen-sulfite-bound forms of each aldehyde compound, consisting of four general aldehydes, four

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