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Basic information
- CAS
6380-71-8- Standard SMILES
CCCCCCCCCCCCOC(=O)CCS- InChIKey
ARNIBHATWCFIIK-UHFFFAOYSA-N- Molecular formula
- C15H30O2S
- Average molar mass
- 274.5 g/mol
- Monoisotopic mass
- 274.19665137
Names & identifiers
- Preferred name
- Propanoic acid, 3-mercapto-, dodecyl ester
- IUPAC
- dodecyl 3-sulfanylpropanoate
- English name
- Dodecyl 3-mercaptopropionate
- Molecular formula
- C15H30O2S
- Molecular weight
- 274.46
Names & synonyms
Dodecyl 3-mercaptopropionatePropanoic acid, 3-mercapto-, dodecyl esterLauryl beta-mercaptopropionatePropionic acid, 3-mercapto-, dodecyl esterEINECS 228-969-7NSC 137813Dodecyl 3-mercaptopropanoateRefChem:869512228-969-7Lauryl 3-mercaptopropionateDodecyl 3-sulfanylpropanoate6380-71-8
Show more names
LAURYL MERCAPTOPROPIONATEN-DODECYL 3-MERCAPTOPROPIONATE3-Mercaptopropanoic acid dodecyl ester3-Mercaptopropionic acid, dodecyl ester
Lauryl .beta.-mercaptopropionateDodecyl 3-sulfanylpropanoate #SCHEMBL1559306DTXSID6064298NSC137813AKOS024334379NSC-137813NS00035572
Database identifiers
- CAS
6380-71-8- PubChem CID
- 80796
- DTXSID
DTXSID6064298- EC Number
- 228-969-7
- Nikkaji
- J206.993H
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Specific Gravity
- 0.94 · 0.94
- EPA Substance Registry System
- 3 · Lauryl 3-mercaptopropionate (6380-71-8)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H350-H411
- Precautionary statements
- 201 · P201-P202-P264-P270-P273-P280-P301+P312+P330-P308+P313-P391-P405-P501
- TSCA
- TSCA listed
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 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
Hazard Classes and CategoriesEye Irrit. 2 (100%)；Aquatic Chronic 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS09
- Hazard statements
- H302-H350-H411
- Precautionary statements
- P201-P202-P264-P270-P273-P280-P301+P312+P330-P308+P313-P391-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3-mercapto-, dodecyl ester: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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