Basic information
- CAS
138485-81-1- Standard SMILES
CSc1ccc(CCC(=O)O)cc1- InChIKey
ASTVFRXZLBGVRL-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580062
Names & identifiers
- Preferred name
- 3-[4-(Methylsulfanyl)phenyl]propanoic acid
- IUPAC
- 3-(4-methylsulfanylphenyl)propanoic acid
- English name
- 3-(4-Methylthiophenyl)propionic acid
- Molecular formula
- C10H12O2S
- Molecular weight
- 196.27
Names & synonyms
138485-81-13-[4-(methylsulfanyl)phenyl]propanoic acidDTXSID003966173-(4-(Methylsulfanyl)phenyl)propanoic acidRefChem:274327DTXCID90347476624-518-73-(4-(methylthio)phenyl)propanoic acidBenzenepropanoic acid, 4-(methylthio)-3-(4-methylsulfanylphenyl)propanoic Acid3-[4-(Methylthio)phenyl]propionic acid3-(4-Methylthiophenyl)propionic acid
Show more names
3-(4-methylsulfanylphenyl)propanoicaci3-(4-Methylthiophenyl)propionic acid 97%3-(4-(methylmercapto)phenyl)propionic acid
MFCD03425696F9995-0952Benzenepropanoicacid, 4-(methylthio)-SCHEMBL46690ASTVFRXZLBGVRL-UHFFFAOYSA-NSMSSF-05528183-(4-(methylthio)phenyl)propanoicacidAKOS009274605
Database identifiers
- CAS
138485-81-1- PubChem CID
- 3801098
- DTXSID
DTXSID00396617- EC Number
- 624-518-7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 98 · 98-102 °C(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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
Danger
H315 (13.3%): Causes skin irritation [Warning Skin corrosion/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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (13.3%)
Safety data
- wgk
- 3
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers24 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
杭州倍生元生物科技有限公司15700194842 15700194842
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Clearsynth Labs Limited+91-22-26355700 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Related reactions
7 records
Compound notes
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