CAS 111-31-9|hexanethiol

Introduction：Basic information about CAS 111-31-9|hexanethiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles58
7. Synonyms

Common Name	hexanethiol
CAS Number	111-31-9	Molecular Weight	118.240
Density	0.8±0.1 g/cm3	Boiling Point	152.3±3.0 °C at 760 mmHg
Molecular Formula	C₆H₁₄S	Melting Point	-81 °C
MSDS	ChineseUSA	Flash Point	20.6±0.0 °C
Symbol	GHS02, GHS06	Signal Word	Danger

Names

Name	1-Hexanethiol
Synonym	More Synonyms

Chemical & Physical Properties

Density	0.8±0.1 g/cm3
Boiling Point	152.3±3.0 °C at 760 mmHg
Melting Point	-81 °C
Molecular Formula	C₆H₁₄S
Molecular Weight	118.240
Flash Point	20.6±0.0 °C
Exact Mass	118.081619
PSA	38.80000
LogP	3.37
Vapour Pressure	4.5±0.3 mmHg at 25°C
Index of Refraction	1.446
InChIKey	PMBXCGGQNSVESQ-UHFFFAOYSA-N
SMILES	CCCCCCS
Water Solubility	insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MO4550000

CHEMICAL NAME :: 1-Hexanethiol

CAS REGISTRY NUMBER :: 111-31-9

BEILSTEIN REFERENCE NO. :: 1731295

LAST UPDATED :: 199709

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C6-H14-S

MOLECULAR WEIGHT :: 118.26

WISWESSER LINE NOTATION :: SH6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1254 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression Behavioral - coma

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1080 ppm/4H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - respiratory stimulation Behavioral - somnolence (general depressed activity) Sense Organs and Special Senses (Eye) - lacrimation

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 396 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia Lungs, Thorax, or Respiration - cyanosis

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 528 ppm/4H

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 19,171,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 mg/kg

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO 1-HEXANETHIOL-air:CL 0.5 ppm/15M REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992

Safety Information

Symbol	GHS02, GHS06
Signal Word	Danger
Hazard Statements	H226-H302-H331
Precautionary Statements	P261-P311
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xn:Harmful;
Risk Phrases	R10;R20/22
Safety Phrases	S23-S24/25-S16
RIDADR	UN 1228 3/PG 2
WGK Germany	3
RTECS	MO4550000
Packaging Group	III
Hazard Class	3
HS Code	2930909090

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles58

Mechanistic Scrutiny Identifies a Kinetic Role for Cytochrome b5 Regulation of Human Cytochrome P450c17 (CYP17A1, P450 17A1).

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Cytochrome P450c17 (P450 17A1, CYP17A1) is a critical enzyme in the synthesis of androgens and is now a target enzyme for the treatment of prostate cancer. Cytochrome P450c17 can exhibit either one or...

One-phase controlled synthesis of Au25 nanospheres and nanorods from 1.3 nm Au : PPh3 nanoparticles: the ligand effects.

Nanoscale 7 , 13663-70, (2015)

We report the controlled synthesis of [Au25(PPh3)10(SR1)5X2](2+) nanorods (H-SR1: alkyl thiol, H-SC2H4Ph and H-S(n-C6H13)) and Au25(SR2)18 nanospheres (H-SR2: aromatic thiol, H-SPh and H-SNap) under t...

An amplified electrochemical strategy using DNA-QDs dendrimer superstructure for the detection of thymine DNA glycosylase activity.

Biosens. Bioelectron. 71 , 249-55, (2015)

A triple-signal amplification strategy was proposed for highly sensitive and selective detection of thymine DNA glycosylase (TDG) by coupling a dendrimer-like DNA label with the electrochemical method...

Synonyms

1-Mercaptohexane,Hexyl mercaptan,MCH

1-Hexanethiol

EINECS 203-857-0

Hexane-1-thiol

hexanethiol

Hexyl Mercaptan

MFCD00004909

n-hexanethiol

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