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Octadecan-1-thiol

1-Octadecanethiol

HCID 17905
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GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
17322-94-0
Standard-SMILES
CCCCCCCCCCCCCCCCCCS
InChIKey
QJAOYSPHSNGHNC-UHFFFAOYSA-N
Summenformel
C18H38S
Durchschnittliche Molmasse
286,6 g/mol
Monoisotopische Masse
286,26942222

Überblick

1-octadecanethiol appears as white powder with an extremely unpleasant smell. May be harmful by ingestion, inhalation or through skin contact. Eye, skin and respiratory irritant.

Namen und Bezeichner

Bevorzugter Name
1-Octadecanethiol
IUPAC
octadecane-1-thiol
Lokaler Name
Octadecan-1-thiol
Englischer Name
Octadecanethiol
Summenformel
C18H38S
Molmasse
286.56

Namen und Synonyme

1-OCTADECANETHIOL2885-00-9Stearyl mercaptann-Octadecyl mercaptanOctadecyl mercaptan1-Mercaptooctadecanen-octadecanethioloctadecylthiol1-Octadecyl mercaptanNSC 5545DTXSID0062686RefChem:76749
Weitere Namen anzeigen
MercaptanODMMERCAPTAN C18
DTXCID8037887220-744-1octadecane-1-thiolOctadecanethiolOCTADECANTHIOLMFCD00004886NSC-554517322-94-0

Datenbank-Bezeichner

CAS
17322-94-0、2885-00-9
PubChem CID
17905
DTXSID
DTXSID0062686
UNII
3V2V92U86E
EC Number
220-744-1
Nikkaji
J97.163D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
9,4
Polarare Oberfläche (TPSA)
1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
16
Schwere Atome
19
Formalladung
0
Komplexität
145

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiols
LogP9.12 (estimated)
Density · 3 Einträge

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

Relative density (water = 1): 0.85

0.85

Solubility · 3 Einträge

Insoluble (NIOSH, 2024)

Solubility in water: none

Insoluble

Flash Point · 2 Einträge

185 °C

185 °C c.c.

Decomposition366 °C
Melting Point · 3 Einträge

77 °F (NIOSH, 2024)

24-31 °C

77 °F

Physical Description · 4 Einträge

1-octadecanethiol appears as white powder with an extremely unpleasant smell. May be harmful by ingestion, inhalation or through skin contact. Eye, skin and respiratory irritant.

Greasy, white semi-solid with a disagreeable, offensive odor; [CHEMINFO]

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (87.1%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 140 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Octadecanethiol

Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23603

1-Octadecanethiol: Does not have an individual approval but may be used under an appropriate group standard

The 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. Gives off irritating or toxic fumes (or gases) in a fire.

Health HazardsExcerpt from NIOSH Pocket Guide for 1-Octadecanethiol:
Hazards SummarySymptoms of overexposure include weakness, cyanosis, and convulsions; [CAMEO] See THIOLS;
DOT ID and Guide1228 131(liquid)
Reactive Group

Chemie und Industrie

Verwendung und Herstellung

Uses1-Octadecanethiol is used in chemical organic synthesis; in synthetic rubber processing, and in tarnish-preventing agents; [CHEMINFO]
Household ProductsInformation on 3 consumer products that contain Octadecyl mercaptan in the following categories is provided:
General Manufacturing Information1-Octadecanethiol: ACTIVE

Anwendungen

Verwenden1-Octadecanethiol (ODT) is used to deposit thiolated molecules onto the surface of gold substrates, such as SAMs on gold quartz crystal resonators, on the tip of atomic force microscope probes, capacitive sensors.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

O-(6-Chlor-3-phenylpyridazin-4-yl)-S-octylthiocarbonatmicrodispersoid acrylate resin filling emulsionDioctadecyldisulfid

Anbieter100 Anbieter

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Zugehörige Reaktionen

27
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 6410
HRID 6410als Eduktuspto-grants-1993_09
Reaktionsgleichung von HRID 202309
HRID 202309als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 261344
HRID 261344als Eduktuspto-grants-1979_08
Reaktionsgleichung von HRID 261345
HRID 261345als Eduktuspto-grants-1979_08
Reaktionsgleichung von HRID 326100
HRID 326100als Eduktuspto-grants-1984_04
Reaktionsgleichung von HRID 326111
HRID 326111als Eduktuspto-grants-1984_04
Reaktionsgleichung von HRID 374621
HRID 374621als Eduktuspto-grants-1996_01
Reaktionsgleichung von HRID 398754
HRID 398754als Eduktuspto-grants-1998_10
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OILY WHITE SOLID IN VARIOUS FORMS WITH CHARACTERISTIC ODOUR.

Solid or liquid (above 77 °F).

Physikochemische Eigenschaften

Schmelzpunkt
30 · 30-33 °C(lit.)
Siedepunkt
204 · 204-210 °C11 mm Hg(lit.)
Dichte
0.847 g/mL · 0.847 g/mL at 25 °C(lit.)
Dampfdruck
0.5 hPa · <0.5 hPa (20 °C)
Brechungsindex
20 · n20/D 1.3610
Flammpunkt
55 °F · 55 °F
storage temp.
30 °C · Store below +30°C.
Aggregatzustand
Crystalline Solid
pka
10.49 · 10.49±0.10(Predicted)
Farbe
White
Wichte
0.832 · 0.832 (30℃)0.847
Wasserlöslichkeit
Insoluble
BRN
1811934 · 1811934
Stabilität
Stability Combustible. Stable. Incompatible with strong oxidizing agents, bases, reducing agents, alkali metals.
InChI
1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChIKey
QJAOYSPHSNGHNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCS
LogP
8 at · 8 at 20℃
CAS Datenbank
2885 · 2885-00-9(CAS DataBase Reference)
NIST chemische Informationen
1 · 1-Octadecanethiol(2885-00-9)
EPA chemische Informationen
1 · 1-Octadecanethiol (2885-00-9)
Sulfides, Organic
Reactivity Profile · 1 Eintrag

1-OCTADECANETHIOL is non-flammable but combustible (Flash point >100 °F and <140 °F). Incompatible with oxidizing agents, strong acids and strong bases, alkali metals, and nitric acid. Can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite(Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield HX. Reacts exothermically with aldehydes. Emits toxic compounds of sulfur when when heated to decomposition.

Chemical DangersReacts violently with oxidants, reducing agents, strong acids and strong bases. Decomposes on heating. This produces toxic and corrosive fumes including hydrogen sulfide and sulfur oxides.
Flammable LimitsCombustible Solid
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesSkin Irrit. 2 (87.1%)

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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

Use water spray, powder, alcohol-resistant foam, carbon dioxide.

First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth.

First Aid · 2 Einträge

Excerpt from NIOSH Pocket Guide for 1-Octadecanethiol:

(General first aid procedures)

Safe StorageSeparated from strong oxidants, strong acids, bases and strong reducing agents.
Nonfire Spill ResponseExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Spillage DisposalSweep spilled substance into containers. Then store and dispose of according to local regulations.
Isolation and EvacuationExcerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.
Inhalation RiskA harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.

Toxikologische Informationen

Target OrgansEyes, skin, respiratory system, central nervous system, blood
Adverse EffectsOther Poison - Chemical Asphyxiant
Exposure Routesinhalation, skin absorption, ingestion, skin and/or eye contact
Signs and Symptoms · 3 Einträge

Redness.

Headache. Nausea. Vomiting.

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

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.

Sicherheitsdaten

OEL
Ceiling: 0.5 ppm (5.9 mg/m3) [15-minute]
wgk
3
tsca
TSCA listed
ridadr
UN 1170 3/PG 2
hs_code
29309070
risk_code
36/37/38
Toxizität
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rat > 2000 mg/kg
hazard_code
F,Xi
safety_code
7-16-37/39-26-36
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Aquatic Acute 1Skin Irrit. 2
Selbstentzündungstemperatur
>200 °C
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