3,5-Dimethylphenol

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Names

[ CAS No. ]:
108-68-9

[ Name ]:
3,5-Dimethylphenol

[Synonym ]:
3,5-Dimethylphenol
3.5-XYLENOL
M-XYLENOL
3,5-Xylenol
3,5-DIMETHYLPHENOL FOR SYNTHESIS
EINECS 203-606-5
3,5-DIMETHYLPHENOL-D3,OD
Metaxylenol
3,5-Dimethylpheno
3,5-dimethyl phenol
xylenol200
3,5 XYLENOL
3,5-DIMETHYLPHENOL/3,5-XYLENOL
5-Hydroxy-m-xylene,sym.-m-Xylenol
SYM-XYLENOL
Phenol, 3,5-dimethyl-
3,5-Dmp
SYM-M-XYLENOL
MFCD00002307
1,3,5-Xylenol
m-5-Xylenol
3,5-Me2C6H3OH
3,5-DIMETHYL-PHENOL
3 5-DIMETHYLPHENOL
3,5-DIMETHYL PHENOL OR 3,5-XYLENOL

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
221.7±0.0 °C at 760 mmHg

[ Melting Point ]:
61-64 °C(lit.)

[ Molecular Formula ]:
C8H10O

[ Molecular Weight ]:
122.164

[ Flash Point ]:
92.3±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 ]:
5.3 g/L (25 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZE6475000
CHEMICAL NAME :
3,5-Xylenol
CAS REGISTRY NUMBER :
108-68-9
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C8-H10-O
MOLECULAR WEIGHT :
122.18
WISWESSER LINE NOTATION :
QR C1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
608 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 :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>4 mg/m3
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 23(10),52,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
477 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
156 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,868,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1313 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1583 No. of Facilities: 61 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 136 (estimated) No. of Female Employees: 56 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301 + H311-H314

[ Precautionary Statements ]:
Missing Phrase - N15.00950417-P260-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338

[ 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

[ Risk Phrases ]:
R24/25;R34

[ Safety Phrases ]:
S26-S28-S36/37/39-S45-S28A

[ RIDADR ]:
UN 2261 6.1/PG 2

[ WGK Germany ]:
2

[ RTECS ]:
ZE6475000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29071400

Synthetic Route

Precursor & DownStream

Precursor

  • 1-Bromo-3,5-dimethylbenzene
  • 1-Iodo-3,5-dimethylbenzene
  • 3,5-Dimethyl-2-cyclohexen-1-one
  • 3,5-Dimethylphenylboronic acid
  • Chloroxylenol
  • 2-Methyl-2-hepten-5-yn-4-one
  • 2-(3,5-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • 1-(methoxymethoxy)-3,5-dimethylbenzene
  • 1-Methoxy-3,5-dimethylbenzene

DownStream

  • 2-(3,5-dimethylphenoxy)-N-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]acetamide
  • [4-(hydroxymethyl)-3,5-dimethylphenyl] methanesulfonate
  • 3,4,5-TRIMETHYLPHENOL
  • 2,3,5-Trimethylphenol
  • 2,6-dimethyl-p-benzoquinone
  • 4-hydroxy-3,5-dimethylcyclohexa-3,5-diene-1,2-dione
  • 3,5-dimethyl-2-nitro-phenol
  • 3,5-Dimethyl-4-nitrophenol
  • 3,5-dimethyl-4-nitrocyclohexa-2,5-dienone
  • 3,5-dimethylcyclohexa-3,5-diene-1,2-dione

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%

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Related Compounds

  • 3,5-Dimethylphenol
  • 3,5-dimethylphenol
  • 4-Br-3,5-dimethylphenol
  • 2-Brom-3,5-dimethylphenol
  • 4-iodo-3,5-dimethylphenol
  • 4-Cyano-3,5-dimethylphenol
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • N-(1H-indazol-6-yl)-5-(4-methoxyphenyl)oxazole-2-carboxamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 5-Tert-butoxy-4-cyclopropoxy-2-fluoropyridine
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 4-Cyclopropoxy-6-ethyl-N,N-dimethylnicotinamide
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • (S)-tert-butyl 3-(N-methyl-2-(thiophen-3-yl)acetamido)piperidine-1-carboxylate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide