CAS No.488-17-5,3-Methylcatechol Suppliers

Products Categories

Pharmaceutical (54)
Organic Chemicals (20)
Reagent (9)
Others (6)
Materials (5)
Plant Extract (2)

Basic Information

Molecular Structure:
CAS No.:	488-17-5
Name:	3-Methylcatechol
Article Data:	60

Formula:	C₇H₈O₂
Molecular Weight:	124.139
Synonyms:	Pyrocatechol,3-methyl- (6CI,8CI);1,2-Dihydroxy-3-methylbenzene;2,3-Dihydroxytoluene;2,3-Toluenediol;2-Hydroxy-3-methylphenol;2-Hydroxy-6-methylphenol;3-Methyl-1,2-benzenediol;3-Methyl-1,2-dihydroxybenzene;3-Methylcatechol;3-Methylpyrocatechol;NSC 66523;
EINECS:	207-672-6
Density:	1.21 g/cm³
Melting Point:	64-68 °C
Boiling Point:	240.9 °C at 760 mmHg
Flash Point:	116.7 °C
Solubility:	soluble in water
Appearance:	brown-grey crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	40.46000
LogP:	1.40620

Total:77 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 488-17-5

Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The IUPAC name of 2,3-Dihydroxytoluene is 3-methylbenzene-1,2-diol. With the CAS registry number 488-17-5, it is also named as 1,2-Benzenediol, 3-methyl-. The product's categories are Aromatic Hydrocarbons (substituted) & Derivatives; Phenyls & Phenyl-Het; Aromatics Compounds; Aromatics; Isotope Labeled Compounds; Phenyls & Phenyl-Het; Organic Building Blocks; Oxygen Compounds; Polyols. Besides, it is brown-grey crystalline powder, which should be stored in sealed, ventilated, dry place. In addition, its molecular formula is C₇H₈O₂ and molecular weight is 124.14.

The other characteristics of this product can be summarized as: (1)EINECS: 207-672-6; (2)ACD/LogP: 1.34; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.34; (5)ACD/LogD (pH 7.4): 1.34; (6)ACD/BCF (pH 5.5): 6.14; (7)ACD/BCF (pH 7.4): 6.11; (8)ACD/KOC (pH 5.5): 127.64; (9)ACD/KOC (pH 7.4): 127.02; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 34.84 cm³; (15)Molar Volume: 102.5 cm³; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.21 g/cm³; (18)Flash Point: 116.7 °C; (19)Melting Point: 64-68 °C; (20)Enthalpy of Vaporization: 49.72 kJ/mol; (21)Boiling Point: 240.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0239 mmHg at 25 °C.

Preparation of 2,3-Dihydroxytoluene: this chemical can be prepared by 2-Methoxy-6-methyl-phenol.

This reaction needs 40percent Hydrobromic acid and Acetic acid. The reaction time is 4 hours. The yield is 83 %.

Uses of 2,3-Dihydroxytoluene: this chemical is a novel enzyme inhibitor. Additionally, it can react with Acetic acid anhydride to get 2,3-Diacetoxy-toluene.

This reaction needs cc. H₂SO₄ for 15 min. The yield is 100 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable gloves and eye / face protection. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1c(cccc1O)C
(2)InChI: InChI=1/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
(3)InChIKey: PGSWEKYNAOWQDF-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
(5)Std. InChIKey: PGSWEKYNAOWQDF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	56mg/kg (56mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07878,