1-Decanethiol (HCID 8917)

Überblick

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

Namen und Bezeichner

Bevorzugter Name: 1-Decanethiol
IUPAC: decane-1-thiol
Lokaler Name: Decan-1-thiol
Englischer Name: 1-Decanethiol
Summenformel: C10H22S
Molmasse: 174.35

Namen und Synonyme

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

Weitere Namen anzeigen

decylthiolN-DECYL MERCAPTANMERCAPTAN C10Decan-1-thiolDecanethiol-(1)

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,5
Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 8
Schwere Atome: 11
Formalladung: 0
Komplexität: 61,9

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Thiols

Flammable agents - 2nd degree

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesBoiling point

Density · 3 Einträge

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

Relative density (water = 1): 0.84

0.84

Solubility · 3 Einträge

Insoluble (NIOSH, 2024)

Solubility in water: none

Insoluble

Flash Point · 4 Einträge

209 °F (NIOSH, 2024)

98 °C

209 °F

Physikochemische Eigenschaften

Schmelzpunkt: -26 °C · -26 °C (lit.)
Siedepunkt: 114 °C/13 · 114 °C/13 mmHg (lit.)
Dichte: 0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.458(lit.)
Flammpunkt: 209 °F · 209 °F
storage temp.: 2 · 2-8°C
pka: 10.5 · 10.50±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wichte: 0.841 · 0.841
Wasserlöslichkeit: Insoluble in water.
Spezifische Wärmekapazität: 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 Datenbank: 143 · 143-10-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Decanethiol(143-10-2)
EPA chemische Informationen: 1 · 1-Decanethiol (143-10-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

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 Einträge

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

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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

Use foam, carbon dioxide, powder.

First Aid Measures · 4 Einträge

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 Einträge

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 Eintrag

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.

Toxikologische Informationen

Target OrgansEyes, skin, respiratory system, central nervous system

Adverse EffectsOther Poison - Chemical Asphyxiant

Exposure Routes · 2 Einträge

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 Einträge

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

Sicherheitsdaten

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
hazard_code: Xi
hazard_note: Irritant/Stench/Air Sensitive
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Decanethiol: ACTIVE

Anwendungen

Verwenden1-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.