1-Decanethiol (HCID 8917)

概要

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

名称と識別子

優先名称: 1-Decanethiol
IUPAC: decane-1-thiol
現地名: 1-デカンチオール
英語名: 1-Decanethiol
分子式: C10H22S
分子量: 174.35

名称と別名

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

名称をさらに表示

1-デカンチオールデシルメルカプタンデシルチオールデカン-1-チオールn-デシルメルカプタン1‐デカンチオール1-デカンチオール (96%)1-デカンチオール, 96%decylthiolN-DECYL MERCAPTANMERCAPTAN C10Decan-1-thiolDecanethiol-(1)

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

データベース識別子

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

物性

構造計算による物性

XLogP: 5.5
極性表面積: 1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 8
重原子数: 11
形式電荷: 0
複雑度: 61.9

実験および物理化学的性質

Chemical Classes · 2 件

Other Classes -> Thiols

Flammable agents - 2nd degree

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesBoiling point

Density · 3 件

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

Relative density (water = 1): 0.84

0.84

Solubility · 3 件

Insoluble (NIOSH, 2024)

Solubility in water: none

Insoluble

Flash Point · 4 件

209 °F (NIOSH, 2024)

98 °C

209 °F

物理化学的性質

融点: -26 °C · -26 °C (lit.)
沸点: 114 °C/13 · 114 °C/13 mmHg (lit.)
比重(密度): 0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.458(lit.)
闪点: 209 °F · 209 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.5 · 10.50±0.10(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.841 · 0.841
水溶解度: 水に不溶。
比熱容量: 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)
CAS データベース: 143 · 143-10-2(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Decanethiol(143-10-2)
EPAの化学物質情報: 1 · 1-Decanethiol (143-10-2)

化学的性質

化学的特性Liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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 · 2 件

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

安全と保護具

Fire Fighting · 2 件

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

Use foam, carbon dioxide, powder.

First Aid Measures · 4 件

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 · 2 件

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 · 1 件

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.

毒性情報

Target OrgansEyes, skin, respiratory system, central nervous system

Adverse EffectsOther Poison - Chemical Asphyxiant

Exposure Routes · 2 件

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 · 4 件

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

安全データ

F: 13
OEL: Ceiling: 0.5 ppm (3.6 mg/m3) [15-minute]
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29309090
risk_code: 36/37/38
化審法: (2)-464
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant/Stench/Air Sensitive
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing Information1-Decanethiol: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用1-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.

一般的な説明1-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.