Dodecanthiol

Dodecanthiol · Isododecyl mercaptan

Identifikatoren & physikalische Daten

CAS No.	112-55-0
Summenformel	C12H26S
Durchschnittliche Molmasse	202,4 g/mol
Monoisotopische Masse	202,17552183 g/mol
SMILES	CCCCCCCCCCCCS
InChIKey	WNAHIZMDSQCWRP-UHFFFAOYSA-N
PubChem CID	8195
ChEMBL	CHEMBL3185403
EC No.	203-984-1
DTXSID	DTXSID6025220
Lokaler Name	Dodecanthiol

Chemische & physikalische Eigenschaften

XLogP	6,1
Polarare Oberfläche (TPSA)	1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	10
Schwere Atome	13
Formalladung	0
Komplexität	81,2
Stoffklassen	Other Classes -> Thiols
SpringerMaterials Properties	Boiling point
Geruch	MILD CHARACTERISTICMild, skunk-like odor.
Lebensmittelzusatzstoffe	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	0.85 at 59 °F (USCG, 1999) - Less dense than waterwill float0.8435 at 20 °C/20 °CRelative density (water = 1): 0.850.842-0.852 (20 °C)0.8450 @ 20°C
Color/Form	Colorless, water-white, or pale-yellow, oily liquid [Note: A solid below 15 degrees F].
Löslichkeit	less than 1 mg/mL at 70 °F (NTP, 1992)Insol in watersol in ethanol, ether, chloroformSOL IN METHANOL, ACETONE, BENZENESol in gasoline, ethyl acetateSolubility in water: nonePractically insoluble or insoluble in water
Flammpunkt	190 °F (NTP, 1992)128 °C262 °F (128 °C) (Open cup)88 °C o.c.190 °F (open cup)(oc) 190 °F
Siedepunkt	511 to 541 °F at 760 mmHg (NTP, 1992)260-268 mm Hg at 760 mm HgBP: 142-145 °C @ 15 MM HG266-285 °C142-143 °C (16 mm Hg)441-478 °F127-129 °C(Press: 9 Torr)
Decomposition	When heated to decomposition it emits toxic fumes of /sulfur oxides/.
Schmelzpunkt	19 °F (NTP, 1992)-7 °C-7 - -9 °C15 °F
Dampfdichte	greater than 1 (estimated) (NTP, 1992) (Relative to Air)Relative vapor density (air = 1): 7.0>1

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 1% (11 of 1091) of reports.DangerH302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1091 reports by companies from 36 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 1-Dodecanethiol1-Dodecanethiol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecanethiol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 03-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/194851-Dodecanethiol: Does not have an individual approval but may be used under an appropriate group standardThe 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-Kennzeichnung	Class 9
Brandgefahren	Special Hazards of Combustion Products: Poisonous and irritating gases (e.g., sulfur dioxide) are generated in fires. (USCG, 1999)Combustible. Above 88 °C explosive vapour/air mixtures may be formed.
Brandpotenzial	Combustible when exposed to heat or flame.
Gesundheitsgefahren	Liquid is irritating to skin, eyes, and mucous membranes. Ingestion may cause nausea. Repeated skin exposure can cause dermatitis and may produce a sensitizing effect. (USCG, 1999)
Gefahrenübersicht	This chemical is listed in the Chemotechnique Diagnostics Shoe Series for patch testing. [Marks, p. 376] Not highly toxic after acute exposureRats and mice had no adverse effects after exposure to 8-9 ppm for 1 to 6 hours. Some mice died after exposure to 8 ppm (6 hours/day, 5 days/week for 4 weeks)