Basic information
- CAS
7664-80-4- Standard SMILES
CCCCCCCCOC(=O)CS- InChIKey
MADOXCFISYCULS-UHFFFAOYSA-N- Molecular formula
- C10H20O2S
- Average molar mass
- 204.33 g/mol
- Monoisotopic mass
- 204.11840105
Names & identifiers
- Preferred name
- Octyl mercaptoacetate
- IUPAC
- octyl 2-sulfanylacetate
- English name
- Thioglycolic acid n-octyl ester
- Molecular formula
- C10H20O2S
- Molecular weight
- 204.33
Names & synonyms
Octyl thioglycolateOctyl mercaptoacetateEINECS 231-637-4Acetic acid, 2-mercapto-, octyl esterRefChem:856095231-637-47664-80-4n-Octyl Thioglycolateoctyl 2-sulfanylacetateAcetic acid, mercapto-, octyl esterOctyl 2-mercaptoacetateThioglycolic Acid n-Octyl Ester
Show more names
thioglycolacidoctylestern-Octyl Thioglycolate >mercapto-aceticacioctylester
MFCD00053518OctylthioglykolateOctyl sulfanylacetateOctyl2-mercaptoacetaten-Octyl MercaptoacetateOctyl sulfanylacetate #SCHEMBL61031DTXSID9064764
Database identifiers
- CAS
7664-80-4- PubChem CID
- 76023
- DTXSID
DTXSID9064764- EC Number
- 231-637-4
- Nikkaji
- J150.357J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 124 °C · 124 °C / 4mmHg
- Density
- 0.97 · 0.97
- refractive index
- 1.458 to · 1.4580 to 1.4600
- form
- clear liquid
- pka
- 7.97 · 7.97±0.10(Predicted)
- color
- Colorless to Almost colorless
- EPA Substance Registry System
- Acetic acid, mercapto-, octyl ester (7664-80-4)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P403+P233-P405-P501
- RIDADR
- 2810 · UN 2810 6.1/PG 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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN 2810 6.1/PG III
- hs_code
- 2930.90.9250
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301+H311+H331
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-mercapto-, octyl ester: INACTIVE
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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