Basic information
- CAS
2307-69-9- Standard SMILES
Cc1ccc(OS(=O)(=O)C(C)C)cc1- InChIKey
MUTOLSSCMLECRU-UHFFFAOYSA-N- Molecular formula
- C10H14O3S
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.06636548
Names & identifiers
- Preferred name
- 4-Methylphenyl propane-2-sulfonate
- IUPAC
- (4-methylphenyl) propane-2-sulfonate
- English name
- Isopropyl p-toluenesulfonate
- Molecular formula
- C10H14O3S
- Molecular weight
- 214.28
Names & synonyms
p-tolyl propane-2-sulfonate4-methylphenyl propane-2-sulfonate25077-99-0SCHEMBL14873047DTXSID80945748LS-13820Isopropyl EsterIsopropyl 4-MethylbenzenesulfonateISOBUTYL 4-METHYLBENZENESULFONATEIsopropyl tosylateIsopropyl p-TosylateTopiram
Show more names
2-Propyl tosylateTenofovir Impurity 58Clopidogrel Impurity MISOPROPYL P-TOLUENESULFOTE
Database identifiers
- CAS
2307-69-9- PubChem CID
- 75322
- DTXSID
DTXSID80945748
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 20 · 20
- Boiling point
- 107 · 107-109 °C(Press: 0.4 Torr)
- Density
- 1.142 g/mL · 1.142 g/mL at 25 °C
- refractive index
- 20 · n 20/D 1.503
- Flash point
- Not applicable
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- liquid
- color
- Colourless
- InChI
- InChI=1S/C10H14O3S/c1-8(2)13-14(11,12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
- InChIKey
- SDQCGKJCBWXRMK-UHFFFAOYSA-N
- SMILES
- C1(S(OC(C)C)(=O)=O)=CC=C(C)C=C1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 14 TSY160FA · 14TSY160FA
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29041000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIsopropyl p-Tosylate is a sulfonic acid ester, a potentialy alkylating agent. Studies suggest Isopropyl p-Tosylate may exert genotoxic effects in bacterial and mammalian cell systems.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海凯曼化工科技有限公司021-021-50400622 15618790390 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…