16-Mercaptohexadecanoic acid

HCID 3522585CAS 69839-68-5

기본 정보

표준 SMILES: O=C(O)CCCCCCCCCCCCCCCS
InChIKey: INOAASCWQMFJQA-UHFFFAOYSA-N
분자식: C16H32O2S
평균 분자량: 288.5 g/mol
단동위원소 질량: 288.21230143

이름 및 식별자

우선 이름: 16-Mercaptohexadecanoic acid
IUPAC: 16-sulfanylhexadecanoic acid
영어명: 16-Mercaptohexadecanoic acid
분자식: C16H32O2S
분자량: 288.49

이름 및 동의어

16-Mercaptohexadecanoic acidDTXSID0039328716-MHA cpdRefChem:79027DTXCID9034414769839-68-516-sulfanylhexadecanoic acidMHDAMFCD00674018Hexadecanoic acid, 16-mercapto-C16H32O2SSCHEMBL49347

이름 더 보기

NANOTHINKS ACID16NANOTHINKS(R) ACID16nanothinks tm acid1616-sulfanylhexadecanoicaci16-Mercaptohexadecanoic acid 90%

16-Mercaptohexadecanoic acid, 90%16-Mercaptohexadecanoic acid, 99%D7098816-Mercaptopalmitic acidNanoThinks™ ACID16AMY3796216-MERCAPTOHEXADECANOICACIDAKOS015856333

데이터베이스 식별자

CAS: 69839-68-5
PubChem CID: 3522585
DTXSID: DTXSID00393287
EC Number: 628-111-5
Nikkaji: J534.969I

물성

구조 계산 물성

XLogP: 5.7
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 15
무거운 원자 수: 19
형식 전하: 0
복잡도: 195

물리화학적 성질

녹는점: 65 · 65-69 °C
밀도: 0.787 g/mL · 0.787 g/mL at 25 °C
인화점: 52 °F · 52 °F
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C16H32O2S/c17-16(18)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19/h19H,1-15H2,(H,17,18)
InChIKey: INOAASCWQMFJQA-UHFFFAOYSA-N
SMILES: OC(=O)CCCCCCCCCCCCCCCS

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 38 of 39 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 38 of 39 reports by companies.；There is 1 notification provided by 1 of 39 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 2
ridadr: UN 1170 3/PG 2
risk_code: 11
hazard_code: F
safety_code: 7-16
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Formation of interchain carboxylic anhydrides on self-assembled monolayers with Fluoro N,N,N′,N′-tetramethylforamidinium hexafluorophosphate.1 This compound is used in self-assembly to produce hydrophilic SAMs. The resulting monolayers which are terminated with carboxylic acids can be further functionalized2 with various amines and alcohols to introduce more complex end groups or multiple layers.3

일반 설명16-Mercaptohexadecanoic acid (MHA) is an alkanethiol with long chained CH2 groups, which form a self-assembled monolayer (SAM) on a wide range of substrates.