2,3,5-Trimethyl-1,4-benzenediol

Names

[ CAS No. ]:
700-13-0

[ Name ]:
2,3,5-Trimethyl-1,4-benzenediol

[Synonym ]:
2,3,5-Trimethyl-1,4-benzenediol
2,3,5-Trimethylbenzene-1,4-diol
MFCD00002346
1,4-Benzenediol, 2,3,5-trimethyl-
EINECS 211-838-3

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
298.3±35.0 °C at 760 mmHg

[ Melting Point ]:
169-172 °C(lit.)

[ Molecular Formula ]:
C₉H₁₂O₂

[ Molecular Weight ]:
152.190

[ Flash Point ]:
146.3±20.5 °C

[ Exact Mass ]:
152.083725

[ PSA ]:
40.46000

[ LogP ]:
2.03

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.573

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
2 g/L (20 ºC)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MX7820000

CHEMICAL NAME :: Hydroquinone, trimethyl-

CAS REGISTRY NUMBER :: 700-13-0

LAST UPDATED :: 199710

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C9-H12-O2

MOLECULAR WEIGHT :: 152.21

WISWESSER LINE NOTATION :: QR DQ B1 C1 F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 20 mg/kg

SEX/DURATION :: female 4 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina

REFERENCE :: JSICAZ Journal of Scientific and Industrial Research, Section C: Biological Sciences. (New Delhi, India) V.14-21, 1955-62. For publisher information, see IJEBA6. Volume(issue)/page/year: 19,264,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83814 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 705 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83814 No. of Facilities: 4 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 114 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H315-H317-H318-H332-H335-H410

[ Precautionary Statements ]:
P261-P273-P280-P305 + P351 + P338-P501

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful

[ Risk Phrases ]:
R20;R37/38;R41;R43;R50/53

[ Safety Phrases ]:
S24-S26-S37/39-S60-S61

[ RIDADR ]:
UN 3077 9/PG 3

[ WGK Germany ]:
2

[ RTECS ]:
MX7820000

[ Hazard Class ]:
9.0

[ HS Code ]:
2907299090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

trimethyl-p-benzoquinone
3-formyl-5,5-dimethyl-2-cycolohexen-1-one
Butanol
2,2,6-Trimethyl-1,4-cyclohexanedione
Ethanoic anhydride
2,6-dimethyl-p-benzoquinone
1-allyl-1-hydroxy-2,3,6-trimethylcyclohexa-2,4-dien-4-one
2,3,6-Trimethylphenol
3,6-dimethyl-2-oxocyclohex-3-en-1-yl acetate

DownStream

7-(2,5-dihydroxy-3,4,6-trimethylphenyl)-7-phenylheptanoic acid
Tocoquinone-1
2H-1-Benzopyran-6-ol,3,4-dihydro-2,2,5,7,8-pentamethyl-
para-Tolyl disulfide
1-methyl-4-(3-methylbut-2-enylsulfonyl)benzene
2-p-tolyl-thio-3,5-trimethylhydroquinone
4-Methoxybenzyl alcohol
trimethyl-p-benzoquinone
2-hydroxyl-3,5,6,-trimethyl-benzoquinone

Customs

[ HS Code ]: 2907299090

[ Summary ]:
2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

Articles

Dioxygenative cleavage of C-methylated hydroquinones and 2,6-dichlorohydroquinone by Pseudomonas sp. HH35.

Biochim. Biophys. Acta 1568(1) , 83-9, (2001)

The dioxygenolytic catabolism of five C-methylated hydroquinones and 2,6-dichlorohydroquinone in Pseudomonas sp. strain HH35 was elucidated. This organism, which is known to catabolise 2,6-dimethylhyd...

Chain-breaking antioxidant activity of reduced forms of mitochondria-targeted quinones, a novel type of geroprotectors.

Aging (Albany. NY.) 1 , 481-9, (2010)

The chain-breaking antioxidant activities of reduced form of novel type of geroprotectors, mitochondria-targeted quinones (QH(2)) have quantitatively been measured for the first time. To this end, the...

Electron transfer through the isolated mitochondrial cytochrome b-c1 complex.

Biochim. Biophys. Acta 722(2) , 271-80, (1983)

(1) A kinetic analysis of electron donation into and through the cytochrome b-c1 complex isolated from bovine heart mitochondria has been undertaken, using trimethoquinol as the donor. (2) Rate consta...

2,3,5-trimethyl-1,4-dimethoxy-6-(4-iodobutyl)benzene
((2,3,5-trimethyl-1,4-phenylene)bis(oxy))bis(tert-butyldimethylsilane)
2,3,5-trimethyl-1,4-dioxane
2,3,5-trimethyl-1,4-dicarboxybenzene
2,3,5-trimethyl-1,4,2,3,5-oxathiazadiborolidine
1,4-Benzenediol,2,3,5-trimethyl-, 1,4-diacetate
3-[1-(Benzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl]-1-(2,3-dimethoxyphenyl)urea
1-(1-(Phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)-3-(thiophen-2-ylmethyl)urea
1-[4-(1-Pyrrolidinylsulfonyl)phenyl]-1H-imidazole
N-{3-[3-(dimethylamino)-3-oxopropyl]phenyl}-3-methylbenzamide
2-[[2-(3-Ethylphenoxy)acetyl]amino]-N-methyl-N-(phenylmethyl)benzamide
2-(3-Ethylphenoxy)-N-[3-[(4-methyl-1-piperidinyl)carbonyl]phenyl]acetamide
(1R,9S)-11-(4-Aminobutanoyl)-7,11-diazatricyclo[7.3.1.0,2,7]trideca-2,4-dien-6-one
5-(4-tert-Butylphenyl)-1H-pyrazole-3-carboxylic acid methyl ester
methyl 3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylate
5-Biphenyl-4-yl-1H-pyrazole-3-carboxylic acid methyl ester

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