Basic information
- CAS
3547-33-9- Standard SMILES
CCCCCCCCSCCO- InChIKey
KXPXKNBDCUOENF-UHFFFAOYSA-N- Molecular formula
- C10H22OS
- Average molar mass
- 190.35 g/mol
- Monoisotopic mass
- 190.13913632
Overview
2-(Octylthio)ethanol is an organic sulfide.
Names & identifiers
- Preferred name
- 2-(Octylthio)ethanol
- IUPAC
- 2-octylsulfanylethanol
- English name
- 2-Hydroxyethyl-n-octyl sulphide
- Molecular formula
- C10H22OS
- Molecular weight
- 190.35
Names & synonyms
2-(Octylthio)ethanol3547-33-92-Hydroxyethyl octyl sulfideETHANOL, 2-(OCTYLTHIO)-MGK repellent 874R-874 phillipsMGK repellent R-8742-Hydroxyethyl n-octyl sulfide2-(Oktylthio)ethanolMGK 874Caswell No. 489BR-874
Show more names
r-874phillipsRepellent 874mgkrepellent874PHILLIPS R-874(R)mgkrepellentr-874
2-(Oktylthio)ethanol [Czech]2-Hydroxyethyl-n-octyl sulfideNSC 163967DTXSID6032516MGK R-874R 874EINECS 222-598-42-Hydroxyethyl octyl sulphide
Database identifiers
- CAS
3547-33-9- PubChem CID
- 19079
- DTXSID
DTXSID6032516- ChEMBL
CHEMBL3183276- ChEBI
CHEBI:82020- UNII
- 3G5X52121W
- EC Number
- 222-598-4
- Nikkaji
- J7.966I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 76.2
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- 0 °C · 0°C
- Boiling point
- 325.88 °C · 325.88°C (rough estimate)
- Density
- 0.93 · 0.9300
- vapor pressure
- 0.042 Pa · 0.042Pa at 25℃
- refractive index
- 1.476 · 1.4760 (estimate)
- storage temp.
- -15 °C · -15°C
- pka
- 14.52 · 14.52±0.10(Predicted)
- color
- Pale-amber liquid
- BRN
- 1698968 · 1698968
- LogP
- 3.64 · 3.64
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 G5X52121W · 3G5X52121W
- EPA Substance Registry System
- 2 · 2-Hydroxyethyl octyl sulfide (3547-33-9)
Safety & regulation
GHS classification
GHS Classification
Danger
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Danger
H315 (35.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Ethanol, 2-(octylthio)-
Ethanol, 2-(octylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2-(octylthio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-11-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12740
2-(Octylthio)ethanol 2-hydroxyethyl octyl sulphide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (35.9%)
Eye damage - category 1
Eye Dam. 1
Safety data
- tsca
- TSCA listed
- rtecs
- KL9700000
- ridadr
- UN 3082 9 / PGIII
- Toxicity
- LD50 orl-rat: 8530 mg/kg FMCHA2 -,C157,83
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09
- hazard_code
- Xi
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 500,000 - <1,000,000 lb
Industry UsesIntermediate
Household ProductsInformation on 2 consumer products that contain 2-Hydroxyethyl octyl sulfide in the following categories is provided:
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
Ethanol, 2-(octylthio)-: ACTIVE
Applications
Description2-(octylthio)ethanol is a largely obsolete volatile insect repellent that was mainly used to control termite infestations. Data regarding its environmental fate is scant. It is moderately toxic to fish, algae and aquatic invertebrates. It had a low mammalian oral toxicity and is a recognised skin and eye irritant.
Suppliers26 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
凯试(上海)科技有限公司
Related reactions
2 records
Compound notes
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