Tert-dodecanethiol (HCID 32793)

이름 및 식별자

우선 이름: Tert-dodecanethiol
IUPAC: 2,3,3,4,4,5-hexamethylhexane-2-thiol
현지명: 삼차-도데실 메르캅탄
영어명: tert-dodecylthiol
분자식: C12H26S
분자량: 202.4

이름 및 동의어

TERT-DODECANETHIOLtert-Dodecylthioltert-Dodecyl mercaptan2,3,3,4,4,5-hexamethylhexane-2-thiolSulfole 120t-Dodecanethiolt-DDMDTXSID1025221G00MDQ58TBNCGC00091163-03tert-Lauryl MercaptanCCRIS 6030

이름 더 보기

삼차-도데실메르캅탄삼차-도데실메르캅탄(tert-DODECYLMERCAPTAN)터트-도데실 머캅탄T-도데실 머캡탄T-도데칸싸이올삼차-도데실 머캡탄삼차-도데칸싸이올TDMDodecanethioltert-DodecanetdodecanethioltertiaireTert-Dodecyl Mercaptane

terc.Dodecylmerkaptan [Czech]2,3,3,4,4,5-Hexamethyl-2-hexanethiolt-DodecylmercaptanEINECS 246-619-1terc.DodecylmerkaptanBRN 1738382TERT-DODECYL THIOLT-DODECYL MERCAPTAN

데이터베이스 식별자

CAS: 25103-58-6
PubChem CID: 32793
DTXSID: DTXSID1025221
ChEMBL: CHEMBL1325985
UNII: G00MDQ58TB
EC Number: 246-619-1
Nikkaji: J76.265B

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 176

실험 및 물리화학적 성질

Physical DescriptionLarge Crystals; Liquid

물리화학적 성질

녹는점: -7.5 °C · -7.5°C
끓는 점: 227 · 227-248 °C (lit.)
밀도: 0.86 g/mL · 0.86 g/mL at 20 °C (lit.)
증기압: 1.33 hPa · 1.33 hPa (25.5 °C)
굴절률: 1.4486 · 1.4486 (estimate)
인화점: 195 °F · 195 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 0.1 g/L · <0.1g/L
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
수용성: 23 · 23&C에서 <0.1g/100mL
BRN: 1738382 · 1738382
InChI: 1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3
InChIKey: CXUHLUIXDGOURI-UHFFFAOYSA-N
SMILES: SC(C(C(C(C)C)(C)C)(C)C)(C)C
LogP: 7.43 at · 7.43 at 20℃
EPA: tert-Dodecanethiol (25103-58-6)

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.3% (25 of 1065) of reports.

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1065 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

유해성 정보

Regulatory Information · 4건

Chemical: tert-Dodecanethiol

tert-Dodecanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of tert-Dodecanethiol 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: 01-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13431

t-Dodecanethiol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - tert-Dodecanethiol: Human health tier I assessment

Hazard Classes and Categories · 3건

Skin Irrit. 2 (95.6%)

Flammable liquids - Category 4

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: JR3150000
ridadr: UN 3082 9/PG 3
독성: LD50 orally in Rabbit: 6800 mg/kg LD50 dermal Rabbit 12600 mg/kg
HS 번호: 29309070
risk_code: 36/38-50/53
hazard_code: Xi,N
safety_code: 26-36-60
포장분류: III
위험 등급: 9
기존화학 물질: KE-12852
자연 발화 온도: 350 °C
Hazard Classifications: Aquatic Chronic 1Skin Irrit. 2Skin Sens. 1B
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 25,000,000 - <40,000,000 lb

Consumer UsesChain transfer agent

Industry UsesFlotation agent

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

tert-Dodecanethiol: ACTIVE

응용 분야 · 2건

용도Tert-dodecylthiol is used in the polymer industry and as a processing regulator, processing aid (i.e. pH value regulator, flocculant and precipitant), lubricant, for the manufacture of plastic materials, resins, paints, coatings, rubber products, and mining, among other things.

일반 설명Clear white to pale yellow liquid with a repulsive odor.