n-Octyl m
1-Octanethiol
CAS: 111-88-6
Molecular Formula: C8H18S
n-Octyl m - Names and Identifiers
| Name | 1-Octanethiol |
| Synonyms | n-Octyl m n-Octylthiol 1-Octanethiol n-Octanethiol octane-1-thiol Octane-1-thiol Octanethiol-(1) octanethiolnormal 2-methyl-2-hepthanethiol octanethiol(non-specificname) octylmercaptan(non-specificname) 1-Octanethiol, (1-Mercaptooctane 1-Mercaptooctane~n-Octyl mercaptan |
| CAS | 111-88-6 |
| EINECS | 203-918-1 |
| InChI | InChI=1/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
n-Octyl m - Physico-chemical Properties
| Molecular Formula | C8H18S |
| Molar Mass | 146.29 |
| Density | 0.843 g/mL at 25 °C (lit.) |
| Melting Point | -49 °C |
| Boling Point | 197-200 °C (lit.) |
| Flash Point | 55°F |
| Water Solubility | Not miscible in water. |
| Solubility | 0.004g/l |
| Vapor Presure | 0.3 hPa (20 °C) |
| Appearance | Liquid |
| Specific Gravity | 0.843 (20/4℃) |
| Color | Clear colorless |
| Exposure Limit | NIOSH: Ceiling 0.5 ppm(3.0 mg/m3) |
| BRN | 1733101 |
| pKa | 10.55±0.10(Predicted) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with strong acids, strong oxidizing agents, alkali metals. |
| Refractive Index | n20/D 1.452(lit.) |
| Physical and Chemical Properties | Colorless transparent liquid. Freezing point -49.2 °c. Boiling point 199.1 ℃,77-78 ℃(1.33kPa), relative density 0.8428(20/4 ℃), refractive index 1.4540, ignition point 85 ℃. Soluble in ethanol, ether, acetone and benzene, insoluble in water. Has the special odor of thiols. |
n-Octyl m - Risk and Safety
| Risk Codes | R11 - Highly Flammable R67 - Vapors may cause drowsiness and dizziness R65 - Harmful: May cause lung damage if swallowed R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 - May cause sensitization by skin contact R36/37 - Irritating to eyes and respiratory system. R20 - Harmful by inhalation R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S7 - Keep container tightly closed. S16 - Keep away from sources of ignition. S57 - Use appropriate container to avoid environmental contamination. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S29 - Do not empty into drains. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| UN IDs | UN 1170 3/PG 2 |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29309070 |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 2000 - 2450 mg/kg |
n-Octyl m - Reference Information
Open Data Unverified Data
| olfactory Threshold | 0.0016ppm |
| LogP | 4.21 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | This product is used as a polymerization regulator and vulcanization regulator in the production of synthetic rubber, and also uses rubber additives, medicines, production of dyes and pesticides. It can also be used as a stabilizer for surfactants and resins. |
| production method | is obtained by reacting bromooctane with sodium hydrosulfide in the presence of sulfuric acid. Octanethiol can also be prepared by condensation of bromooctane with thiourea followed by hydrolysis. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 2000 mg/kg |
| flammability hazard characteristics | combustible flame; Toxic sulfur oxide gas |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Separate from food, acids and oxidants |
| fire extinguishing agent | foam, dry powder, carbon dioxide |
| spontaneous combustion temperature | 240°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:43:38
n-Octyl m - Nature
Open Data Verified Data
colorless transparent liquid with special odor of thiol. The relative density was 0. 8428. Boiling point 199.1 °c. Freezing point -49.2 °c. Ignition point: 85 ℃. Refractive index 4540. Soluble in ethanol ether, acetone, benzene, insoluble in water.
Last Update：2024-01-02 23:10:35
n-Octyl m - Preparation Method
Open Data Verified Data
- a halogen (substituted) (n) Octane was prepared by reacting sodium hydrosulfide.
- a halogenated octyl thiourea was prepared by reacting octanohalide with thiourea, which was hydrolyzed with NaOH to form sodium octyl mercaptan (II) and finally acidified with sulfuric acid to form N-octanethiol (III).
Last Update：2022-01-01 10:37:42
n-Octyl m - Use
Open Data Verified Data
used as rubber additives, pharmaceuticals, dyes, pesticides intermediates. It can also be used as a stabilizer for surfactants, polymerization regulators and resins.
Last Update：2022-01-01 10:37:41
n-Octyl m - Safety
Open Data Verified Data
- thiol-based molecules can deteriorate proteins in the skin and mucosa due to the action of-SH ions therein, and make the conjunctiva and cornea of the eye turbid or even dissolve. In addition, it generally has a hypnotic effect and can paralyze the central nervous system at high concentrations. Most of the thiols can be absorbed by the skin, the application of the skin, a short time due to irritation and redness, long-term exposure will be carcinogenic. However, with the increase of the number of carbon atoms in the thiol molecule, its toxicity decreases: Cl>C2>C3>C4>C5>C6>C7>C8... The equipment should be sealed, and the operator should wear protective equipment. See n-propanethiol.
- see n-propanethiol for packaging and storage.
Last Update：2022-01-01 10:37:42
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Product Name: 1-Octanethiol Request for quotationCAS: 111-88-6
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3787852685
Spot supply
Product Name: 1-Octanethiol Request for quotationCAS: 111-88-6
Tel: +86-17551318830
Email: r@reformchem.com
Mobile: +86-17551318830
QQ: 3785839865
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