Ingredient Dictionary

TRIMETHYLHEXANAL

3,5,5-Trimethylhexanal is a saturated fatty aldehyde.

Definition

3,5,5-Trimethylhexanal is a saturated fatty aldehyde.

Source: PubChem

US FDA substance register · UNII U62H30BXPJ · registered name 3,5,5-TRIMETHYLHEXANAL · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Cosmetic roles

Gives the product a scentPERFUMING

Safety & regulatory references

Not classified under Korea’s toxic-substance GHS list

Source: Korea toxic substances GHS register (NIER)

More data — names, identifiers, properties, test records, literature

Names & identifiers

TRIMETHYLHEXANALINCIHexanal, 3,5,5-trimethyl-Synonym

CAS No.chemical registry number: 5435-64-3
EC No.EU chemical inventory number: 226-603-0
DTXSIDUS EPA chemical ID: DTXSID6047107
DTXCIDUS EPA compound ID: DTXCID4027107

IUPAC: 3,5,5-Trimethylhexanal
Molecular formula: C9H18O
Molecular weight: 142.242 g/mol

Measured properties

Appearance: liquid
Colour: colourless
Melting/freezing point: &amp, lt, -60 ℃
Initial boiling point and range: 173 ℃
Flash point: 45 ℃
Vapour pressure: 0.08 ㎜Hg
Water solubility: 100 ㎎/ℓ
Relative density: 0.82 (g/cu cm)
n-Octanol/water partition coefficient (Kow): 3.09
Viscosity: (1.29 mm²/s (static))
Molecular weight: 142.2386

Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.

Source: KOSHA safety data sheets (Korea)

What products actually use it for

What the 9 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.

Fragrance7
Flavouring and nutrient2

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

4 skin studies and 2 eye studies are on record.

Classed as highly irritating2Classed as moderate1

The study conclusions largely agree (67%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.

See all 6 studies

Classification not possible
Skin Sensitization · Screening
Category 2
Skin Irritation · Screening
High Frequency of Sensitization
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation)
Severe Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to
Moderate or Mild Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to
Category 2B
Eye Irritation · Screening