Ingredient Dictionary

2,3,6-TRIMETHYLPHENOL

2,3,6-Trimethylphenol is a hydroxytoluene.

Definition

2,3,6-Trimethylphenol is a hydroxytoluene.

Source: PubChem

US FDA substance register · UNII 05WKL2L5LJ · registered name 2,3,6-TRIMETHYLPHENOL · 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

2,3,6-TRIMETHYLPHENOLINCIPhenol, 2,3,6-trimethyl-Synonym

CAS No.chemical registry number: 2416-94-6
EC No.EU chemical inventory number: 219-330-3
DTXSIDUS EPA chemical ID: DTXSID6022187
DTXCIDUS EPA compound ID: DTXCID602187

IUPAC: 2,3,6-Trimethylphenol
Molecular formula: C9H12O
Molecular weight: 136.194 g/mol

Measured properties

Appearance: Solid, [IUCLID] Light yellow crystalline lumps, [MSDSonline] · Solid
Boiling point: 226 °C · 226.00 °C. @ 760.00 mm Hg
Melting point: 58 °C · 63.5 - 64 °C
Solubility: Very soluble in ethanol, ether, benzene. · Water solubility of 1,580 mg/l at 25 °C.
Melting/freezing point: 60~62 ℃
Initial boiling point and range: 215 ℃
Flash point: 100 ℃(c.c)
Upper/lower flammability or explosive limits: 1.5 / 7.7 %
Vapour pressure: (&amp, lt, 0.1hPa (20℃))
Water solubility: 1.42 g/ℓ (25℃)
Relative density: 0.94 (g/cm3 (100℃))
n-Octanol/water partition coefficient (Kow): 2.72 (25℃)
Auto-ignition temperature: 405 ℃
Molecular weight: 136.19

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: PubChem · KOSHA safety data sheets (Korea)

What products actually use it for

What the 4 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.

Fragrance2
Flavouring and nutrient2

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

6 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 8 studies

SkinIrr2
Skin Irritation · QSAR Predicted
High Frequency of Sensitization
skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) 2002-04-24 according to EU Method B.42 (Skin Sensitisation: Local Lymph Node Assay) cited as Commission Regulation (EC) No 440/2008, 2008-05-30 according to EPA OPPTS 870.2600 (Skin Sensitisation) March 2003
SkinSens1
Skin Sensitization · QSAR Predicted
Severe Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to
Classification not possible
Skin Sensitization · Screening
Category 2
Skin Irritation · Screening
Category 2
Eye Irritation · Screening
Corrosive or Irritation Persists for > 21 days
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to