ChemicalBook CAS DataBase List 95-87-4

95-87-4

Name	2,5-Dimethylphenol
CAS	95-87-4
EINECS(EC#)	202-461-5
Molecular Formula	C8H10O
MDL Number	MFCD00002237
Molecular Weight	122.16
MOL File	95-87-4.mol

Chemical Properties

Appearance	WHITE TO CREAM COLORED CRYSTALS
Melting point	75-77 °C
Boiling point	212 °C(lit.)
density	0.971 g/mL at 25 °C(lit.)
vapor pressure	0.208 hPa (25 °C)
FEMA	3595
refractive index	1.5120
Fp	85 °C
storage temp.	Store below +30°C.
solubility	3.54g/l slightly soluble
form	Crystals
pka	pK1:10.22 (25°C)
color	slightly brown
Odor	at 0.10 % in propylene glycol. sweet naphthyl phenolic smoke bacon
biological source	synthetic
explosive limit	1.4%(V)
Odor Type	phenolic
Water Solubility	1 g/100 mL (60 ºC)
Detection Methods	HPLC
JECFA Number	706
Merck	14,10082
BRN	1099260
Henry's Law Constant	8.2×10⁰ mol/(m³Pa) at 25℃, Brockbank (2013)
Exposure limits	ACGIH: TWA 1 ppm
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3
InChIKey	NKTOLZVEWDHZMU-UHFFFAOYSA-N
SMILES	Cc1ccc(C)c(O)c1
LogP	2.34-2.6 at 25℃
CAS DataBase Reference	95-87-4(CAS DataBase Reference)
NIST Chemistry Reference	Phenol, 2,5-dimethyl-(95-87-4)
EPA Substance Registry System	95-87-4(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS06,GHS09
Signal word	Danger
Hazard statements	H301+H311-H314-H411
Precautionary statements	P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes	T,N
Risk Statements	R24/25:Toxic in contact with skin and if swallowed . R34:Causes burns. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S61:Avoid release to the environment. Refer to special instructions safety data sheet . less more
RIDADR	UN 2261 6.1/PG 2
WGK Germany	3
RTECS	ZE5775000
TSCA	Yes
REACH Registrations	Active
HazardClass	6.1
PackingGroup	II
HS Code	29071400
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Oral Aquatic Chronic 2 Eye Dam. 1 Skin Corr. 1B
Safety Profile	Poison by ingestion. Moderately toxic by an unspecified route. When heated to decomposition it emits acrid smoke and irritating fumes. Questionable carcinogen with experimental tumorigenic data. Used in disinfectants, solvents, pharmaceuticals, plasticizers, and wetting agents. See also other xylenol entries. less more
Hazardous Substances Data	95-87-4(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Colorless to off-white crystalline solid. Odor threshold concentration 0.4 mg/L. Taste threshold concentration 0.5 mg/L.

Reactivity Profile

2,5-DIMETHYLPHENOL(95-87-4) is incompatible with bases, acid chlorides, acid anhydrides and oxidizing agents. 2,5-DIMETHYLPHENOL(95-87-4) corrodes steel, brass, copper and copper alloys.

Air & Water Reactions

This chemical is hygroscopic. Insoluble in water.

Fire Hazard

Flash point data for this chemical are not available. 2,5-DIMETHYLPHENOL is probably combustible.

Chemical Properties

2,5-Xylenol has a creosote, sweet, medicinal taste.

Chemical Properties

WHITE TO CREAM COLORED CRYSTALS

Occurrence

Reported found in coffee, smoked fatty fish, processed lean fish, malt whiskey, Scotch blended whiskey, katsuobushi (dried bonito) and kumazasa (Sasa albo-marginata).

Uses

Used to make phenolic resins and (in isomeric mixtures) as an antioxidant for lubricating oils, gasoline, and elastomers. Also used as perfuming agents.

Definition

ChEBI: 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.

Aroma threshold values

Detection: 400 ppb

Taste threshold values

Taste characteristics at 10 ppm: musty, chemical, stringent and phenolic.

Health Hazard

Symptoms of exposure to this compound may include severe irritation and burns of the skin and eyes; irritation of the respiratory tract, dizziness, stomach pain, exhaustion, coma and damage to the liver or kidneys. Other symptoms include headache, nausea and vomiting. It may cause corrosion of the tissues of the mucous membranes and upper respiratory tract, eyes and skin. Inhalation may result in burning sensation, coughing, wheezing, laryngitis and shortness of breath. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi; chemical pneumonitis and pulmonary edema. Symptoms of exposure to this class of compounds include skin sensitization, profuse sweating, painless blanching or erythema of the skin, intense thirst, diarrhea, cyanosis from methemoglobinemia, hyperactivity, stupor, blood pressure fall, hyperpnea, abdominal pain, hemolysis and convulsions. If death from respiratory failure is not immediate, jaundice and oliguria or anuria may occur.

Purification Methods

Crystallise 2,5-xylenol from EtOH/ether. [Beilstein 6 IV 3164.]

Toxics Screening Level

The initial threshold screening level (ITSL) for 2,5-dimethylphenol is being set at 0. 7 μg/m3 with annual averaging.

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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95-87-4

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

General Description

Reactivity Profile

Air & Water Reactions

Fire Hazard

Chemical Properties

Chemical Properties

Occurrence

Uses

Definition

Aroma threshold values

Taste threshold values

Health Hazard

Purification Methods

Toxics Screening Level

Material Safety Data Sheet(MSDS)

Questions And Answer

Description

References

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

Related Products