CAS 2079-95-0 1-Tetradecanethiol (HCID 64677)

이름 및 식별자

우선 이름: 1-Tetradecanethiol
IUPAC: tetradecane-1-thiol
영어명: 1-Tetradecanethiol
분자식: C14H30S
분자량: 230.45

이름 및 동의어

1-Tetradecanethiol2079-95-0Myristyl mercaptanTetradecyl mercaptann-tetradecylmercaptanTetradecanethiolAPY3P7S1XMUNII-APY3P7S1XMEINECS 218-209-2NSC 57865Tetradecanethiol-(1)AI3-15913

이름 더 보기

TetradcylthiolFourteen thiolsTETRADECANE THIOLn-tetradecanethiolTetradecan-1-thioletradecane-1-thiolTETRADECYLMERCAPTANtetradecane-1-thiol

NSC-57865DTXSID70621661MercaptotetradecanenTetradecyl mercaptanRefChem:77255DTXCID1036381218-209-2GEKDEMKPCKTKEC-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 2079-95-0
PubChem CID: 64677
DTXSID: DTXSID7062166
UNII: APY3P7S1XM
EC Number: 218-209-2
Nikkaji: J97.159F

물성

구조 계산 물성

XLogP: 7.2
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 12
무거운 원자 수: 15
형식 전하: 0
복잡도: 102

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Thiols

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; mp = 6.1-6.5 deg C; [CHEMINFO] Clear nearly colorless liquid; [MSDSonline]

물리화학적 성질

녹는점: 6 · 6-7°C
끓는 점: 176 · 176-180°C 22mm
밀도: 0.846 g/mL · 0.846 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.461
인화점: 176 · 176-180°C/22mm
산도 계수 (pKa): 10.49 · 10.49±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 1742653 · 1742653
Henry's Law Constant: 8.5 · 8.5×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: InChI=1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3
InChIKey: GEKDEMKPCKTKEC-UHFFFAOYSA-N
SMILES: C(S)CCCCCCCCCCCCC
LogP: 7.555 · 7.555 (est)
NIST: 1 · 1-Tetradecanethiol(2079-95-0)
EPA: 1 · 1-Tetradecanethiol (2079-95-0)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryAn irritant; May cause serious eye injury; May cause skin sensitization; [MSDSonline] See THIOLS.

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

독성 정보

Adverse EffectsOther Poison - Chemical Asphyxiant

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3334
HS 번호: 29309090
risk_code: 41-43
hazard_code: Xi
safety_code: 26-36/37/39
F 고인화성물질: 9-13-23
Hazard Classifications: Eye Dam. 1Skin Sens. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

UsesUsed as organic intermediate in synthetic rubber processing; [CHEMINFO]

General Manufacturing Information1-Tetradecanethiol: ACTIVE

응용 분야 · 2건

용도TDT is used as a self-assembled monolayer (SAM) on gold nanoparticle(AuNP) based electrodes for bi-enzymer glucose biosensors. The surface modification was done by soaking the electrodes in TDT solution.

일반 설명1-Tetradecanethiol (TDT) is an alkanethiol used as a self-assembled monolayer (SAM) which may be used to functionalize a variety of nanoparticles. It is a hydrophobic ligand. It is highly oriented and acts as a hole-injection barrier on the nanoparticle surface.