Basic information
- CAS
1073-29-6- Standard SMILES
CSc1ccccc1O- InChIKey
SOOARYARZPXNAL-UHFFFAOYSA-N- Molecular formula
- C7H8OS
- Average molar mass
- 140.2 g/mol
- Monoisotopic mass
- 140.02958588
Overview
2-(Methylthio)phenol is an aryl sulfide.
Names & identifiers
- Preferred name
- o-(Methylthio)phenol
- IUPAC
- 2-methylsulfanylphenol
- English name
- 2-Hydroxythioanisole
- Molecular formula
- C7H8OS
- Molecular weight
- 140.2
Names & synonyms
2-(Methylthio)phenol1073-29-62-Hydroxythioanisole2-(Methylsulfanyl)phenolo-(Methylthio)phenolPHENOL, 2-(METHYLTHIO)-Phenol, o-(methylthio)-2-MethylmercaptophenolHydroxythioanisole, o-(Methylthio)phenol, o-Methyl (2-hydroxyphenyl) sulfideFEMA No. 3210
Show more names
Methylthio)pheno2-(methylthio)-phenoO-HYDROXYTHIOANISOLE2-METHYL-MERCAPTOPHENOL2-(Methylthio)phenol>
2-(methyl thio) phenol1-Hydroxy-2-methylmercaptobenzeneNSC 75839DTXSID9061463EINECS 214-027-2NSC-75839A6JO803536O-(METHYLTHIO)PHENOL [FHFI]
Database identifiers
- CAS
1073-29-6- PubChem CID
- 61261
- DTXSID
DTXSID9061463- ChEMBL
CHEMBL225343- ChEBI
CHEBI:173591- UNII
- A6JO803536
- EC Number
- 214-027-2
- Nikkaji
- J110.558B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Experimental & physicochemical properties
FragrancesFragrance Ingredient (o-(Methylthio)-phenol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.168-1.173
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
218.00 to 219.00 °C. @ 760.00 mm Hg
218-219 °C; 105 °C (22 mm Hg)
Refractive Index1.575-1.584
Physical Descriptionliquid
Physicochemical properties
- Melting point
- 84 · 84-85 °C
- Boiling point
- 104 °C · 104 °C
- Density
- 1.16 · 1.16
- refractive index
- 1.593 · 1.5930
- FEMA
- 3210 · 3210 | O-(METHYLTHIO)-PHENOL
- FLAVIS Number
- 12.042 · 12.042 | 2-(Methylthio)phenol
- Flash point
- 104 · 104-106°C/22mm
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 9.23 · 9.23±0.30(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.16 · 1.16
- Odor
- 0.1 % · at 0.10 % in propylene glycol. meaty onion garlic sulfurous eggy
- Odor Type
- sulfurous
- JECFA Number
- 503 · 503
- BRN
- 1859745 · 1859745
- LogP
- 1.75 · 1.75
- CAS DataBase Reference
- 1073 · 1073-29-6(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- O-(METHYLTHIO)PHENOL
- FDA UNII
- 6 JO803536 · A6JO803536
- EPA Substance Registry System
- 2 · Phenol, 2-(methylthio)- (1073-29-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36-37
- RIDADR
- 3334 · 3334
- TSCA
- TSCA listed
- HazardClass
- IRRITANT, STENCH
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.8% (11 of 1384) of reports.
Warning
H302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1384 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phenol, 2-(methylthio)-
Phenol, 2-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3334
- hs_code
- 29349990
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37
- hazard_class
- IRRITANT, STENCH
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPhenol, 2-(methylthio)-: ACTIVE
Applications
DescriptionMay be synthesized from the diazonium salt of methyl-(2-amino furyl)-sulfide.
OccurrenceReported found as a constituent in coffee aroma
UsesGB 2760-1996 specifies 2-HYDROXYTHIOANISOLE as food flavorings, which are temporarily permitted for use.
Preparation methods
PreparationFrom the diazonium salt of methyl-(2-aminofuryl)-sulfid
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
安徽合诺生物科技有限公司18455579438
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉至精诚医药技术有限公司13871097899
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
湖北杰明凯林科技有限公司13817642633 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉沃轩科技有限公司13322067656 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
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Additional notes
DefinitionChEBI: 2-(Methylthio)phenol is an aryl sulfide.
Related reactions
45 records
Compound notes
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