CAS 95-87-4|2,5-Dimethylphenol

Introduction：Basic information about CAS 95-87-4|2,5-Dimethylphenol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles10
7. Synonyms

Common Name	2,5-Dimethylphenol
CAS Number	95-87-4	Molecular Weight	122.164
Density	1.0±0.1 g/cm3	Boiling Point	211.1±0.0 °C at 760 mmHg
Molecular Formula	C₈H₁₀O	Melting Point	75-77 °C
MSDS	ChineseUSA	Flash Point	86.7±7.2 °C
Symbol	GHS05, GHS06, GHS09	Signal Word	Danger

Names

Name	2,5-Dimethylphenol
Synonym	More Synonyms

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
InChIKey	NKTOLZVEWDHZMU-UHFFFAOYSA-N
SMILES	Cc1ccc(C)c(O)c1
Water Solubility	1 g/100 mL (60 ºC)

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

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%

Articles10

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 ...

Synonyms

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)

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