기본 정보
- CAS
3547-33-9- 표준 SMILES
CCCCCCCCSCCO- InChIKey
KXPXKNBDCUOENF-UHFFFAOYSA-N- 분자식
- C10H22OS
- 평균 분자량
- 190.35 g/mol
- 단동위원소 질량
- 190.13913632
개요
2-(Octylthio)ethanol is an organic sulfide.
이름 및 식별자
- 우선 이름
- 2-(Octylthio)ethanol
- IUPAC
- 2-octylsulfanylethanol
- 영어명
- 2-Hydroxyethyl-n-octyl sulphide
- 분자식
- C10H22OS
- 분자량
- 190.35
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
3547-33-9- PubChem CID
- 19079
- DTXSID
DTXSID6032516- ChEMBL
CHEMBL3183276- ChEBI
CHEBI:82020- UNII
- 3G5X52121W
- EC Number
- 222-598-4
- Nikkaji
- J7.966I
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 45.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 76.2
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 0 °C · 0°C
- 끓는 점
- 325.88 °C · 325.88°C (rough estimate)
- 밀도
- 0.93 · 0.9300
- 증기압
- 0.042 Pa · 0.042Pa at 25℃
- 굴절률
- 1.476 · 1.4760 (estimate)
- 저장 조건
- -15 °C · -15°C
- 산도 계수 (pKa)
- 14.52 · 14.52±0.10(Predicted)
- 색상
- 옅은 호박색 액체
- BRN
- 1698968 · 1698968
- LogP
- 3.64 · 3.64
- EPA
- 2 · 2-Hydroxyethyl octyl sulfide (3547-33-9)
안전 및 규제
GHS 분류
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)
유해성 정보
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
안전 데이터
- tsca
- TSCA listed
- rtecs
- KL9700000
- ridadr
- UN 3082 9 / PGIII
- 독성
- LD50 orl-rat: 8530 mg/kg FMCHA2 -,C157,83
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26
- 기존화학 물질
- KE-26780
화학 및 산업
용도 및 제조
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
공급사26 곳
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021-50135380 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
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