Basic information
- CAS
165804-07-9- Standard SMILES
CCCOC(=O)CCS- InChIKey
RIMHDIYZJQVNSO-UHFFFAOYSA-N- Molecular formula
- C6H12O2S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.05580079
Names & identifiers
- Preferred name
- Propyl 3-mercaptopropanoate
- IUPAC
- propyl 3-sulfanylpropanoate
- English name
- N-PROPYL 3-MERCAPTOPROPIONATE
- Molecular formula
- C6H12O2S
- Molecular weight
- 148.22
Names & synonyms
165804-07-9Propyl 3-mercaptopropanoateN-PROPYL 3-MERCAPTOPROPIONATEpropyl 3-sulfanylpropanoatePropanoic acid, 3-mercapto-, propyl esterPropyl3-mercaptopropanoaten-Propyl 3-mercaptopropanoateSCHEMBL5829840SCHEMBL6203488DTXSID80428566RIMHDIYZJQVNSO-UHFFFAOYSA-NDB-043627
Show more names
Propyl 3-mercaptopropionate3-Mercaptopropanoic acid propyl ester3-Mercaptopropionic acid n-propyl ester
Database identifiers
- CAS
165804-07-9- PubChem CID
- 7364136
- DTXSID
DTXSID80428566- EC Number
- 679-005-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Boiling point
- 82 °C · 82°C 12mm
- Density
- 1.021 · 1.021
- refractive index
- 1.515 · 1.5150
- Flash point
- 82 °C/12mm · 82°C/12mm
- pka
- 9.66 · 9.66±0.10(Predicted)
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 302 · H302-H332
- Precautionary statements
- 261 · P261-P280f
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- ridadr
- 2810
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H332
- Precautionary statements
- P261-P280f
Chemistry & industry
Suppliers12 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Shanghai Medfine Bio-pharmaceutical Co., Ltd+86-86-13013810076 +86-13013810076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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