1-Decanethiol (HCID 8917)

Overview

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

Names & identifiers

Preferred name: 1-Decanethiol
IUPAC: decane-1-thiol
English name: 1-Decanethiol
Molecular formula: C10H22S
Molecular weight: 174.35

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 11
Formal charge: 0
Complexity: 61.9

Experimental & physicochemical properties

Chemical Classes · 2 items

Other Classes -> Thiols

Flammable agents - 2nd degree

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesBoiling point

Density · 3 items

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

Relative density (water = 1): 0.84

0.84

Solubility · 3 items

Insoluble (NIOSH, 2024)

Solubility in water: none

Insoluble

Flash Point · 4 items

209 °F (NIOSH, 2024)

98 °C

209 °F

Physicochemical properties

Melting point: -26 °C · -26 °C (lit.)
Boiling point: 114 °C/13 · 114 °C/13 mmHg (lit.)
Density: 0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.458(lit.)
Flash point: 209 °F · 209 °F
storage temp.: 2 · 2-8°C
pka: 10.5 · 10.50±0.10(Predicted)
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.841 · 0.841
Water Solubility: Insoluble in water.
Specific Heat Capacity: 2.01 J/ · Cp(liquid): 2.01 J/(g·K), at 25℃
Sensitive: Air Sensitive/Stench
BRN: 1735223 · 1735223
Henry's Law Constant: 5 · 5.0×10-4 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Exposure limits: 0.5 ppm · NIOSH: Ceiling 0.5 ppm(3.6 mg/m3)
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 DataBase Reference: 143 · 143-10-2(CAS DataBase Reference)
FDA UNII: 2 H8YRB236 · A2H8YRB236
NIST Chemistry Reference: 1 · 1-Decanethiol(143-10-2)
EPA Substance Registry System: 1 · 1-Decanethiol (143-10-2)
UNSPSC Code: 12352103 · 12352103
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
OEL: 0.5 ppm · Ceiling: 0.5 ppm (3.6 mg/m3) [15-minute]
RIDADR: 3334 · UN 3334
WGK Germany: 3 · 3
F: 13 · 13
Hazard Note: Irritant/Stench/Air Sensitive
TSCA: TSCA listed
HS Code: 29309090 · 29309090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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 items

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

Safety & protection

Fire Fighting · 2 items

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

Use foam, carbon dioxide, powder.

First Aid Measures · 4 items

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 items

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 item

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.

Toxicology

Target OrgansEyes, skin, respiratory system, central nervous system

Adverse EffectsOther Poison - Chemical Asphyxiant

Exposure Routes · 2 items

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 items

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

Safety data

F: 13
OEL: Ceiling: 0.5 ppm (3.6 mg/m3) [15-minute]
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3334
hs_code: 29309090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant/Stench/Air Sensitive
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Decanethiol: ACTIVE

Applications

Uses1-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.

General Description1-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.