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Trimethylhydroquinone

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Trimethylhydroquinone

EINECS 211-838-3
CAS No. 700-13-0 Density 1.126 g/cm3
Solubility 2 g/L (20 ºC) Melting Point 169-174 °C
Formula C9H12O2 Boiling Point 298.3 °C at 760 mmHg
Molecular Weight 152.19 Flash Point 146.3 °C
Transport Information UN 3077 9/PG 3 Appearance off-white, tan or orange powder
Safety 24-26-37/39-60-61 Risk Codes 20-37/38-41-43-50/53
Molecular Structure Molecular Structure of 700-13-0 (1,4-Benzenediol,2,3,5-trimethyl-) Hazard Symbols HarmfulXn; DangerousN
Synonyms

Hydroquinone,trimethyl- (6CI,7CI,8CI);1,4-Dihydroxy-2,3,5-trimethylbenzene;2,3,5-Trimethyl-1,4-benzenediol;2,3,5-Trimethyl-1,4-hydroquinone;2,3,5-Trimethyl-p-hydroquinone;2,3,5-Trimethylhydroquinone;NSC 401617;Pseudocumohydroquinone;Trimethyl-p-hydroquinone;Trimethylhydroquinone;y-Cumohydroquinone;

 

Trimethylhydroquinone Consensus Reports

Reported in EPA TSCA Inventory.

Trimethylhydroquinone Specification

Trimethylhydroquinone, its cas register number is 700-13-0. It also can be called 1,4-benzenediol, 2,3,5-trimethyl-; 2,3,5-Trimethyl-1,4-benzenediol; 2,3,5-Trimethylbenzene-1,4-diol; and 2,3,5-Trimethylbenzol-1,4-diol. Its classification code is Reproductive Effect.
Trimethylhydroquinone could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported.

Physical properties about Trimethylhydroquinone are: (1)ACD/LogP: 1.675; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 1.67; (4)ACD/BCF (pH 5.5): 11.03; (5)ACD/BCF (pH 7.4): 11.03; (6)ACD/KOC (pH 5.5): 194.06; (7)ACD/KOC (pH 7.4): 194.02; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 44.491 cm3; (13)Molar Volume: 135.119 cm3; (14)Polarizability: 17.638 10-24cm3; (15)Surface Tension: 45.140998840332 dyne/cm ; (16)Density: 1.126 g/cm3; (17)Flash Point: 146.269 °C; (18)Enthalpy of Vaporization: 55.969 kJ/mol; (19)Boiling Point: 298.253 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable gloves and eye/face protection;
3. This material and/or its container must be disposed of as hazardous waste;
4. Avoid release to the environment. Refer to special instructions safety data sheet;

You can still convert the following datas into molecular structure:
(1)InChI=1S/C9H12O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4,10-11H,1-3H3;
(2)InChIKey=AUFZRCJENRSRLY-UHFFFAOYSA-N;
(3)Smilesc1(c(c(cc(c1O)C)O)C)C

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.
rabbit LD50 skin > 200mg/kg (200mg/kg)   BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.
rat LC50 inhalation 1500mg/m3/4H (1500mg/m3) CARDIAC: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE

LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA
BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.
rat LD50 oral 3200mg/kg (3200mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 125, 1993.

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