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Basic information
- CAS
2307-69-9- Standard SMILES
Cc1ccc(S(=O)(=O)OC(C)C)cc1- InChIKey
SDQCGKJCBWXRMK-UHFFFAOYSA-N- Molecular formula
- C10H14O3S
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.06636548
Names & identifiers
- Preferred name
- Isopropyl tosylate
- IUPAC
- propan-2-yl 4-methylbenzenesulfonate
- English name
- Isopropyl p-toluenesulfonate
- Molecular formula
- C10H14O3S
- Molecular weight
- 214.28
Names & synonyms
2307-69-9Isopropyl p-Toluenesulfonateisopropyl tosylateIsopropyl toluene-4-sulphonateBenzenesulfonic acid, 4-methyl-, 1-methylethyl esterIsopropyl toluene-4-sulfonate2-propyl tosylateUNII-14TSY160FA14TSY160FACCRIS 9149EINECS 218-989-4ISO-PROPYL P-TOLUENESULFONATE [USP-RS]
Show more names
Isopropyl EsterISOBUTYL 4-METHYLBENZENESULFONATETopiramTenofovir Impurity 58Clopidogrel Impurity MISOPROPYL P-TOLUENESULFOTE
P-TOLUENESULFONIC ACID, ISOPROPYL ESTERISO-PROPYL P-TOLUENESULFONATE (USP-RS)RefChem:149842Isopropyl 4-methylbenzenesulfonateIsopropyl p-TosylateMFCD00968877propan-2-yl 4-methylbenzenesulfonatepropan-2-yl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
2307-69-9- PubChem CID
- 598985
- UNII
- 14TSY160FA
- EC Number
- 218-989-4
- Nikkaji
- J213.182J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- 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 · n20/D1.503
- Flash point
- 110 · 110
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
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
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]
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]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
6 records
Compound notes
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