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| CAS No.: | 13616-82-5 |
|---|---|
| Name: | 2,4-Dimethylbenzenethiol |
| Molecular Structure: | |
|
|
|
| Formula: | C8H10S |
| Molecular Weight: | 138.233 |
| Synonyms: | 2,4-Xylenethiol(6CI,7CI,8CI);2,4-Dimethylthiophenol;2,4-Thioxylenol;NSC 202925; |
| EINECS: | 237-100-0 |
| Density: | 1.027 g/cm3 |
| Melting Point: | -30°C (estimate) |
| Boiling Point: | 208 °C at 760 mmHg |
| Flash Point: | 58.3 °C |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39-37/39-36-7/9 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 38.80000 |
| LogP: | 2.59210 |
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 609-60-9
2,4-dimethylbenzenesulfonyl chloride
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| With ISOPROPYLAMIDE; dimethylsilicon dichloride; zinc In 1,2-dichloro-ethane at 75℃; for 1.5h; | 95% |
| With sulfuric acid; zinc In water 1.) 0 deg C, 1 h, 2.) reflux, 6 h; | 69% |
| With sulfuric acid; zinc | |
| With sulfuric acid; zinc | |
| Multi-step reaction with 3 steps 1: sodium hydrogensulfite; sodium hydroxide / water / 3 h / 40 - 50 °C / pH 6 / Inert atmosphere 2: sulfur dioxide / water / 8 h / 115 °C / Inert atmosphere 3: sodium tetrahydroborate; sodium hydroxide / water; ethanol / 3 h / 78 - 80 °C / Inert atmosphere View Scheme |
- 89816-81-9
2,4-dimethylphenyl ethyl xanthate
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether for 3h; Heating; | 93% |
| With potassium hydroxide In ethanol at 76 - 78℃; | 8.2 g |
- 2127-03-9
2,2'-dipyridyldisulphide
- 88-61-9
2,4-dimethylbenzenesulfonic acid
- 603-35-0
triphenylphosphine
A
- 2637-34-5
2-Mercaptopyridine
B
- 13616-82-5
2,4-dimethyl-thiophenol
C
- 791-28-6
Triphenylphosphine oxide
| Conditions | Yield |
|---|---|
| In benzene for 2h; Product distribution; Mechanism; Heating; further reaction partners - various diaryl disulfides; | A n/a B 92% C 88% |
- 13616-83-6
1,2-bis(2,4-dimethylphenyl)disulfane
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; sodium hydroxide In ethanol; water at 78 - 80℃; for 3h; Inert atmosphere; | 90.4% |
- 827-21-4
m-xylene-4-sulphonic acid sodium salt
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| With triphenylphosphine; 18-crown-6 ether; iodine In benzene for 41h; Heating; | 63% |
| With 18-crown-6 ether; iodine; triphenylphosphine In benzene for 41h; Heating; | 63% |
- 45869-23-6
2,4-dimethyl-benzenesulfinic acid
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| With sulfuric acid; zinc |
- 95-68-1
2,4-Xylidine
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| (i) aq. NaNO2, aq. HCl, (ii) potassium ethylxanthate, (iii) KOEt, EtOH; Multistep reaction; | |
| (i) NaNO2, aq. HCl, (ii) aq. EtOCS2K; Multistep reaction; | |
| Multi-step reaction with 2 steps 1: 1. conc. hydrochloric acid, NaNO2; / 1. 0 degC, 30min.; 2. 40 - 45 degC 2: 93 percent / LiAlH4 / diethyl ether / 3 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 - 5 °C 1.2: 2 h 2.1: potassium hydroxide / ethanol / 76 - 78 °C View Scheme |
- 88-61-9
2,4-dimethylbenzenesulfonic acid
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| With diphosphorus pentasulfide; lithium aluminium tetrahydride 1.) sulfolane, 90 deg C for 24 h 2.) ether, room temperature for 30 min; Yield given. Multistep reaction; |
- 583-70-0
1-bromo-2,4-dimethylbenzene
- 13616-82-5
2,4-dimethyl-thiophenol
| Conditions | Yield |
|---|---|
| With sulfur; magnesium 1.) ether; Multistep reaction; |
| Conditions | Yield |
|---|---|
| Verseifen des Reaktionsprodukts mit alkoh. Kali; |
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Chemistry
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IUPAC Name: 2,4-Dimethylbenzenethiol
Canonical SMILES: CC1=CC(=C(C=C1)S)C
InChI: InChI=1S/C8H10S/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
InChIKey: AMNLXDDJGGTIPL-UHFFFAOYSA-N
Molecular Weight: 138.23 [g/mol]
Molecular Formula: C8H10S
XLogP3: 2.8
EINECS: 237-100-0
Index of Refraction: 1.568
Molar Refractivity: 44.07 cm3
Molar Volume: 134.5 cm3
Surface Tension: 36.6 dyne/cm
Density: 1.027 g/cm3
Flash Point: 58.3 °C
Enthalpy of Vaporization: 42.61 kJ/mol
Boiling Point: 208 °C at 760 mmHg
Vapour Pressure: 0.315 mmHg at 25 °C
Sensitive: Stench
Appearance: clear yellow liquid
Product Categories of Benzenethiol,2,4-dimethyl- (CAS NO.13616-82-5): THIOL; Phenol & Thiophenol & Mercaptan; Phenoles and thiophenoles
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-37/39-36-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
S36:Wear suitable protective clothing.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Irritant/Stench
TSCA: T
HazardClass: 3
PackingGroup of Benzenethiol,2,4-dimethyl- (CAS NO.13616-82-5): III
Specification
Benzenethiol,2,4-dimethyl- (CAS NO.13616-82-5), its Synonyms are 2,4-Dimethylbenzenethiol ; 2,4-Dimethylthiophenol ; 2,4-Thioxylenol ; 2,4-Xylenethiol (8CI) .