2,5-xylenol is a member of the class of phenols that phenol substituted by methyl groups at positions 2 and 5.
Definition
2,5-xylenol is a member of the class of phenols that phenol substituted by methyl groups at positions 2 and 5. It has a role as a volatile oil component and an animal metabolite. It derives from a hydride of a p-xylene.
Source: PubChem
US FDA substance register · UNII XH3E3564KX · registered name 2,5-XYLENOL · single chemical substance
Cosmetic roles
Safety & regulatory references
Korea’s toxic-substance GHS classification: Danger · H317 (category 1) · H411 (category 2) · H311 (category 3) · +2 more
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 95-87-4
- EC No.EU chemical inventory number
- 202-461-5
- DTXSIDUS EPA chemical ID
- DTXSID6025145
- DTXCIDUS EPA compound ID
- DTXCID905145
- IUPAC
- 2,5-Dimethylphenol
- Molecular formula
- C8H10O
- Molecular weight
- 122.167 g/mol
Measured properties
- Appearance
- 2,5-dimethylphenol is a colorless to off-white crystalline solid. Odor threshold concentration 0.4 mg/L. Taste threshold concentration 0.5 mg/L. (NTP, 1992) · Liquid, Dry Powder
- Boiling point
- 414 °F at 760 mmHg (NTP, 1992) · 211.5 °C @ 762 mm Hg
- Melting point
- 160 to 163 °F (NTP, 1992) · 74.5 °C
- Solubility
- less than 1 mg/mL at 68 °F (NTP, 1992) · Sol in ethyl alcohol, very sol in ethyl ether, sl sol in chloroform
- Density
- 0.971 (NTP, 1992) - Less dense than water, will float · 0.965 AT 80 °C
- Viscosity
- 1.55 mN.s.m-2 at 80 °C · 1.55 Ns/㎡((80℃))
- Dissociation constant
- pKa= 10.41 at 25 °C · pK = 10.3
- Melting/freezing point
- 74.8 ℃
- Initial boiling point and range
- 211.1 ℃
- Flash point
- 87 ℃
- Vapour pressure
- 0.156 ㎜Hg
- Water solubility
- 3540 ㎎/ℓ (at 25 deg C)
- Relative density
- 0.97 ((80℃))
- n-Octanol/water partition coefficient (Kow)
- 2.33
- Auto-ignition temperature
- 599
- Molecular weight
- 122.17
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 10 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.
- Flavouring and nutrient3
- Fragrance2
- Cleaning agent2
- Solvent2
- Corrosion inhibitor1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
4 skin studies and 2 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 6 studies
- Category 8.2C (Category 1C)
Skin Irritation · Read Across - Classification not possible
Skin Sensitization · Screening - Skin Corr. 1B
Skin Irritation · Authoritative - Classification not possible
Skin Irritation · Screening - Category 8.3A (Category 1)
Eye Irritation · Read Across - Classification not possible
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Linked databases 15
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · Chinese