A1256312
Benzyl mercaptan , 98% , 100-53-8
Synonym(s):
α-Toluenethiol;α-Tolyl mercaptan;Benzenemethanethiol
CAS NO.：100-53-8
Empirical Formula: C7H8S
Molecular Weight: 124.2
MDL number: MFCD00004867
EINECS: 202-862-5
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | −30 °C (−22 °F; 243 K) |
| Boiling point: | 195 °C (383 °F; 468 K) |
| Density | 1.058 g/mL |
| vapor density | >4 (vs air) |
| refractive index | 1.5751 (20 °C) |
| FEMA | 2147 | BENZYL MERCAPTAN |
| Flash point: | 70 °C (158 °F; 343 K) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| pka | 9.43(at 25℃) |
| form | liquid |
| color | colourless |
| Odor | at 0.10 % in propylene glycol. sharp alliaceous onion sulfurous garlic horseradish mint coffee |
| Odor Type | alliaceous |
| biological source | synthetic |
| explosive limit | 1%(V) |
| Water Solubility | Not miscible or difficult to mix in water. |
| Sensitive | Air Sensitive |
| Merck | 14,9322 |
| JECFA Number | 526 |
| BRN | 605864 |
| Henry's Law Constant | 4.7×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stability: | Stable. Combustible. |
| Major Application | flavors and fragrances |
| InChI | 1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | UENWRTRMUIOCKN-UHFFFAOYSA-N |
| SMILES | SCc1ccccc1 |
| LogP | 2.48 |
| CAS DataBase Reference | 100-53-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzenemethanethiol(100-53-8) |
| EPA Substance Registry System | Benzenemethanethiol (100-53-8) |
Description and Uses
Intermediate, bacteriostat.
Safety
| Symbol(GHS) |   GHS06,GHS09 |
| Signal word | Danger |
| Hazard statements | H330-H302-H315-H319-H410-H227 |
| Precautionary statements | P501-P273-P260-P270-P210-P271-P264-P280-P284-P302+P352-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P304+P340+P310-P403+P233-P403+P235-P405 |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | T,N |
| Risk Statements | 22-23-50/53 |
| Safety Statements | 23-26-36/37/39-45-61-60 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | XT8650000 |
| F | 10-13-23 |
| Hazard Note | Harmful/Lachrymator |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 100-53-8(Hazardous Substances Data) |
| Limited Quantities | 100ml (liquid) or 0.5 Kg (solid) |
| Excepted Quantities | Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml) |
