EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

para-thioguaiacol
benzenethiol, 4-methoxy-

Supplier Sponsors

Name:4-methoxybenzenethiol
CAS Number: 696-63-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-799-2
FDA UNII:68N68LMU0G
Nikkaji Web:J54.510D
Beilstein Number:1446910
MDL:MFCD00004849
XlogP3:2.30 (est)
Molecular Weight:140.20496000
Formula:C7 H8 O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.14000 to 1.14400 @ 20.00 °C.
Pounds per Gallon - (est).: 9.497 to 9.530
Refractive Index:1.58300 to 1.58600 @ 20.00 °C.
Boiling Point: 100.00 to 103.00 °C. @ 13.00 mm Hg
Boiling Point: 228.00 to 229.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.133000 mmHg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.11 °C. )
logP (o/w): 2.320 (est)
Soluble in:
 alcohol
 water, 362.7 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Flavor Type: roasted
roasted
Taste Description: roasted
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
4-Methoxythiophenol 98%
Endeavour Specialty Chemicals
4-Methoxythiophenol
Speciality Chemical Product Groups
Robinson Brothers
4-Methoxythiophenol
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
4-Methoxythiophenol
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Methoxythiophenol 97%
TCI AMERICA
For experimental / research use only.
4-Methoxybenzenethiol >96.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intravenous-mouse LD50 56 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04701

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for para-thioguaiacol usage levels up to:
 not for fragrance use.
 
Recommendation for para-thioguaiacol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12765
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2810
WGK Germany:3
4-methoxybenzenethiol
Chemidplus:0000696639
RTECS:DC1800000 for cas# 696-63-9
 
References:
 4-methoxybenzenethiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12765
Pubchem (sid):134976612
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.2900
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenethiol, 4-methoxy-
 benzenethiol, p-methoxy-
4-mercaptoanisole
4-methoxy thiophenol
4-methoxy-benzenethiol
4-methoxybenzene thiol
p-methoxybenzene thiol
para-methoxybenzene thiol
4-methoxybenzene-1-thiol
4-methoxybenzenethiol
p-methoxybenzenethiol
para-methoxybenzenethiol
4-methoxybenzolthiol
4-methoxythiophenol
p-methoxythiophenol
p-thioguaiacol
 
 
Notes:
None found
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