Basic information
- CAS
2540-36-5- Standard SMILES
CC(C)CCOC(=S)S- InChIKey
CONMNFZLRNYHIQ-UHFFFAOYSA-N- Molecular formula
- C6H12OS2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.03295735
Names & identifiers
- Preferred name
- 3-Methylbutoxymethanedithioic acid
- IUPAC
- 3-methylbutoxymethanedithioic acid
- English name
- sodium O-isopentyl dithiocarbonate
- Molecular formula
- C6H12OS2
- Molecular weight
- 164.29
Names & synonyms
Sodium o-isopentyl dithiocarbonate3-methylbutoxymethanedithioic acidRefChem:504171807-374-1926-448-5Isoamyl xanthateIsopentyl dithiocarbonateIsopentyl xanthateIsopentylxanthic acid2540-36-5o-isopentyl dithiocarbonateEC 807-374-1
Show more names
Dithiocarbonic acid O-isopentyl ester
3-methylbutylxanthic acidSCHEMBL2421074CHEMBL3039762DTXSID101251968O-(3-Methylbutyl) hydrogen carbonodithioateNS00002976Carbonodithioic acid, O-(3-methylbutyl) ester
Database identifiers
- CAS
2540-36-5- PubChem CID
- 13574
- DTXSID
DTXSID101251968- ChEMBL
CHEMBL3039762- EC Number
- 807-374-1、926-448-5
- Nikkaji
- J1.109.399J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Physicochemical properties
- Density
- 1.174 · 1.174-1.263 at 20℃
- vapor pressure
- 0 Pa · 0Pa at 25℃
- LogP
- -2.237 · -2.237--1.08 at 20℃ and pH10
- Dissociation constant
- 1.6 · 1.6
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 228 · H228-H311-H314-H411-H302+H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P240-P241-P280-P370+P378
- REACH Registrations
- Active
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, 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.
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
Hazard information
Regulatory InformationREACH registered substance: 3-methylbutoxymethanedithioic acid (EC: 807-374-1)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Flam. Sol. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS05,GHS06
- Hazard statements
- H228-H311-H314-H411-H302+H332
- REACH Registrations
- Active
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P240-P241-P280-P370+P378
Chemistry & industry
Suppliers22 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
武汉吉业升化工有限公司15387013945 · [email protected]
武汉吉业升化工有限公司13545274181 15307147230 · [email protected]
沈阳依莱普克斯化工有限公司024-31124838 15840046119 · [email protected]
武汉吉业升化工有限公司15927657268 · [email protected]
武汉吉业升化工有限公司13343438917 · [email protected]
武汉吉业升化工有限公司15927120776 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
武汉吉业升化工有限公司15307169873 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
武汉吉业升化工有限公司15927657172 · [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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