3-Methyl-4-(methylthio)phenol

HCID 18391
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Basic information

CAS
3120-74-9
Standard SMILES
CSc1ccc(O)cc1C
InChIKey
VKALYYFVKBXHTF-UHFFFAOYSA-N
Molecular formula
C8H10OS
Average molar mass
154.23 g/mol
Monoisotopic mass
154.04523611

Names & identifiers

Preferred name
3-Methyl-4-(methylthio)phenol
IUPAC
3-methyl-4-methylsulfanylphenol
English name
3-Methyl-4-(methylthio)phenol
Molecular formula
C8H10OS
Molecular weight
154.23

Names & synonyms

3-Methyl-4-(methylthio)phenol3120-74-94-(Methylthio)-m-cresolMethylthiomethylphenolPhenol, 3-methyl-4-(methylthio)-3-Methyl-4-(1-methylthio)phenolDTXSID0051996304RF69F8FNSC-87560DTXCID3030559RefChem:818724221-496-7
Show more names
P-METHYLMERCAPTO-M-CRESOLMTMCusafma-17Methylthiomcresolp-Methylthio-m-cresol4-(methylthio)-m-cresoFenamiphos Impurity 3
MMTP3-Methyl-4-(methylsulfanyl)phenol3-methyl-4-methylsulfanylphenolUSAF MA-174-(Methylthio)-3-methylphenolm-CRESOL, 4-(METHYLTHIO)-MFCD00045773NSC 87560

Database identifiers

CAS
3120-74-9
PubChem CID
18391
DTXSID
DTXSID0051996
ChEMBL
CHEMBL3560322
ChEBI
CHEBI:38681
UNII
304RF69F8F
EC Number
221-496-7、467-290-2
Nikkaji
J48.511J

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
45.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
56 · 56-60 °C
Boiling point
151 °C · 151 °C / 15mmHg
Density
1.1125 · 1.1125 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
storage temp.
Room Temperature
solubility
Chloroform, Methanol

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (86.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Phenol, 3-methyl-4-(methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-methyl-4-(methylthio)- 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: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11712

Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18920

Hazard Classes and Categories · 3 items

Skin Irrit. 2 (100%)；Eye Dam. 1 (86.7%)；Eye Irrit. 2 (13.3%)；STOT SE 3 (95.6%)

Flam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)

Acute toxicity (Dermal) - Category 3；Skin corrosion/irritation - Category 2；Serious eye damage/eye irritation - Category 2A；Hazardous to the aquatic environment (Acute) - Category 3；Hazardous to the aquatic environment (Long-term) - Category 3

Regulatory information

Regulatory Information · 3 items

Phenol, 3-methyl-4-(methylthio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-methyl-4-(methylthio)- 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: 16-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11712

Status: Active Update: 18-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18920

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
GP2225000
ridadr
3335
hs_code
2930909899

Chemistry & industry

Uses & manufacturing

U.S. Production2021: 163,802 lb；2020: 172,466 lb
General Manufacturing InformationPhenol, 3-methyl-4-(methylthio)-: ACTIVE

Applications

Uses3-Methyl-4-(methylthio)phenol is a metabolite of Fenamiphos (F245700), a Systemic broad spectrum nematocide with anticholinesterase activity. Nematocide.

Upstream & downstream products

Downstream products

Suppliers98 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Additional notes

DefinitionChEBI: 4-(methylsulfanyl)-m-cresol is an aryl sulfide and a member of phenols. It is functionally related to a m-cresol.

Related reactions

8 records
New reaction record

Compound notes

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