1-Decanethiol (HCID 8917)

개요

1-decanethiol is a colorless liquid with a strong odor.

이름 및 식별자

우선 이름: 1-Decanethiol
IUPAC: decane-1-thiol
현지명: 1-데칸티올
영어명: 1-Decanethiol
분자식: C10H22S
분자량: 174.35

이름 및 동의어

1-DECANETHIOL143-10-2decane-1-thiolDecyl mercaptan1-MercaptodecaneDecylmercaptandecanethioln-decanethiol1-decylthiolA2H8YRB236AI3-06520NSC 850

이름 더 보기

1-데칸티올N-데실머캡탄N-데실머캅탄N-데실머캡탄N-데실 머캅탄decylthiolN-DECYL MERCAPTANMERCAPTAN C10Decan-1-thiolDecanethiol-(1)

EINECS 205-584-2DTXSID7059727n-decylmercaptannDecylmercaptan1MercaptodecaneRefChem:432029DTXCID4034659MFCD00004884

데이터베이스 식별자

CAS: 143-10-2、30174-58-4
PubChem CID: 8917
DTXSID: DTXSID7059727
UNII: A2H8YRB236
EC Number: 205-584-2
Nikkaji: J43.299G

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 8
무거운 원자 수: 11
형식 전하: 0
복잡도: 61.9

실험 및 물리화학적 성질

Chemical Classes · 2건

Other Classes -> Thiols

Flammable agents - 2nd degree

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesBoiling point

Density · 3건

0.84 (NIOSH, 2024) - Less dense than water; will float

Relative density (water = 1): 0.84

0.84

Solubility · 3건

Insoluble (NIOSH, 2024)

Solubility in water: none

Insoluble

Flash Point · 4건

209 °F (NIOSH, 2024)

98 °C

209 °F

물리화학적 성질

녹는점: -26 °C · -26 °C (lit.)
끓는 점: 114 °C/13 · 114 °C/13 mmHg (lit.)
밀도: 0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.458(lit.)
인화점: 209 °F · 209 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.5 · 10.50±0.10(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 0.841 · 0.841
수용성: 물에 불용성.
비열: 2.01 J/ · Cp(liquid): 2.01 J/(g·K), at 25℃
BRN: 1735223 · 1735223
Henry's Law Constant: 5 · 5.0×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: 1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3
InChIKey: VTXVGVNLYGSIAR-UHFFFAOYSA-N
SMILES: CCCCCCCCCCS
LogP: 5.518 · 5.518 (est)
NIST: 1 · 1-Decanethiol(143-10-2)
EPA: 1 · 1-Decanethiol (143-10-2)

화학적 성질

Liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.9% (1 of 54) of reports.

Danger

H314 (14.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid Poison

Fire Hazards · 2건

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Combustible. Above 98 °C explosive vapour/air mixtures may be formed.

Health HazardsExcerpt from NIOSH Pocket Guide for 1-Decanethiol:

Hazards SummarySee THIOLS;

DOT ID and Guide1228 131

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Use foam, carbon dioxide, powder.

First Aid Measures · 4건

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

First Aid · 2건

Excerpt from NIOSH Pocket Guide for 1-Decanethiol:

(General first aid procedures)

Safe StorageSeparated from strong oxidants and strong bases.

Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:

Spillage Disposal · 1건

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

독성 정보

Target OrgansEyes, skin, respiratory system, central nervous system

Adverse EffectsOther Poison - Chemical Asphyxiant

Exposure Routes · 2건

The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.

inhalation, skin absorption, ingestion, skin and/or eye contact

Signs and Symptoms · 4건

Dizziness. Headache. Nausea.

Severe deep burns. Pain.

Nausea. Vomiting. Dizziness. Drowsiness. Headache. Weakness.

irritation eyes, skin, respiratory system; confusion, dizziness, headache, drowsiness, nausea, vomiting, lassitude (weakness, exhaustion), convulsions

안전 데이터

OEL: Ceiling: 0.5 ppm (3.6 mg/m3) [15-minute]
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 13
위험 참고 사항: Irritant/Stench/Air Sensitive
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Decanethiol: ACTIVE

응용 분야

용도1-Decanethiol is used to improve charge injection by creating a monolayer of this material on gold source-drain electrode surfaces for field-effect transistors (FETs). It is also used in the study of self-assembled monolayers.

일반 설명1-Decanethiol is an alkanethiol that forms a self-assembled monolayer(SAM) and it can be coated as a protective coating on a variety of substrates.