2,5-Dimethylphenol

Names

[ CAS No. ]:
95-87-4

[ Name ]:
2,5-Dimethylphenol

[Synonym ]:
2,5-Dimethyl-Phenol
2, 5-Dimethylphenol
EINECS 202-461-5
2,4-DIMORPHOLINO-6-(2-THIENYL)OXADIAZINIUM TETRACHLOROFERRATE
2,5-dimethyl-phenethylamin
2,5-DIMETHYL PHENOL OR 2,5-XYLENOL
2,5-DIMETHYL PHENOL
2,5-Dimethyl-phenaethylamin
2,5-DIMETHYLPHENOL FOR SYNTHESIS
2,5-dimethyl-phenethylamine
Phenol, 2,5-dimethyl-
RARECHEM AL BW 0330
2,5-Dimethylbenzolol
2,5-DiMethylphenethylaMine 1GR
2,5-XYLENOL (OH=1)
2,5-xylenol
2,5-DIMETHYLPHENOL/2,5-XYLENOL
3,6-dimethylphenol
2.5-DIMETHYL PHENOL
2,5-Dimethylphenol
2,5-DIMETHYPHENOL
p-cumyl phenol
Entacapone
2,5-Dimethylbenzeneethanamine
MFCD00002237
2,5-DIMETHYLPHENOL (2,5-XYLENOL)

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
211.1±0.0 °C at 760 mmHg

[ Melting Point ]:
75-77 °C

[ Molecular Formula ]:
C₈H₁₀O

[ Molecular Weight ]:
122.164

[ Flash Point ]:
86.7±7.2 °C

[ Exact Mass ]:
122.073166

[ PSA ]:
20.23000

[ LogP ]:
2.40

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.540

[ Water Solubility ]:
1 g/100 mL (60 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZE5775000

CHEMICAL NAME :: 2,5-Xylenol

CAS REGISTRY NUMBER :: 95-87-4

BEILSTEIN REFERENCE NO. :: 1099260

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C8-H10-O

MOLECULAR WEIGHT :: 122.18

WISWESSER LINE NOTATION :: QR B1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 444 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPPAF Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. (Institut Eksperimental'noi i Klinicheskoi Meditsiny Ministerstva Zdravookhraneniya Estonskoi SSR, Tallinn, USSR) V.8- 1972- Volume(issue)/page/year: 8,145,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 730 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 53,227,1935

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 383 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(7-9),329,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 938 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: HYSAAV Hygiene and Sanitation (USSR). English translation of GISAAA. (Springfield, VA) 1964-71. Discontinued. Volume(issue)/page/year: 33(7-9),329,1968 ** TUMORIGENIC DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4000 mg/kg/20W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 19,413,1959

Safety Information

[ Symbol ]:

GHS05, GHS06, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H311-H314-H411

[ Precautionary Statements ]:
P273-P280-P301 + P310-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;N:Dangerousfortheenvironment;

[ Risk Phrases ]:
R24/25;R34;R51/53

[ Safety Phrases ]:
S26-S36/37/39-S45-S61

[ RIDADR ]:
UN 2261 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
ZE5775000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2907199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2907199090

[ Summary ]:
2907199090 other monophenols VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Articles

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Eur. J. Med. Chem. 46 , 1512-23, (2011)

Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for n...

Effect of p-xylene metabolites, p-methylbenzyl alcohol and 2,5-dimethylphenol, on rat hepatic and pulmonary microsomal metabolism.

Res. Commun. Chem. Pathol. Pharmacol. 76(1) , 117-20, (1992)

Pulmonary metabolites of p-xylene, p-methylbenzyl alcohol (PMBA) and 2,5-dimethylphenol (DMP), were employed to investigate the divergent effects of p-xylene on pulmonary and hepatic metabolism. Rats ...