AG003TZY

599-91-7 | Propyl 4-methylbenzenesulfonate

AG003TZY

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CAS Number	599-91-7
Catalog Number	AG003TZY(AGN-PC-03D6DT)
Chemical Name	Propyl 4-methylbenzenesulfonate
EC Number	209-978-5
IUPAC Name	propyl 4-methylbenzenesulfonate
InChI	InChI=1S/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChI Key	JTTWNTXHFYNETH-UHFFFAOYSA-N
MDL Number	MFCD00059244
Molecular Formula	C10H14O3S
Molecular Weight	214.2814
NSC Number	11005
SMILES	CC1=CC=C(S(=O)(OCCC)=O)C=C1
Synonyms	Propyl p-toluenesulfonate, 599-91-7, Propyl 4-methylbenzenesulfonate, Propyl tosylate, Benzenesulfonic acid, 4-methyl-, propyl ester, p-Toluenesulfonic acid, propyl ester, Propyl toluene-4-sulphonate, p-Toluenesulfonic acid n-propyl ester, CCRIS 9150, EINECS 209-978-5, NSC 11005, JTTWNTXHFYNETH-UHFFFAOYSA-N, p-Toluenesulfonic Acid Propyl Ester, Propyl p-toluenesulfonate, 99%, propanol tosylate, ACMC-209mha, propyl 4-toluene-sulfonate, n-propyl p-toluenesulfonate, AC1L2AZ7, AC1Q6Y8O, p-Toluolsulfosaurepropylester, SCHEMBL156710, DTXSID9060522, CTK5B0800, KS-00000GZG, n-propyl 4-methylbenzenesulfonate, PROPYL 4-TOLUENESULFONATE, Propyl 4-methylbenzenesulfonate #, NSC11005, ZINC1712643, ANW-33404, MFCD00059244, NSC-11005, AKOS015891378, p-toluenesulphonic acid-n-propyl ester, p-toluene-sulphonic acid-n-propyl ester, 4-Methylbenzenesulfonic acid propyl ester, AK324945, AN-46299, DS-11707, U395, 4-Methyl-benzenesulfonic acid propyl ester, DB-025346, LS-182312, TC-122149, Benzenesulfonic acid,4-methyl-, propyl ester, FT-0698661, I01-9694, InChI=1/C10H14O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H, Propylp-Toluenesulfonate, C10H14O3S, Benzenesulfonic acid, propyl ester, CID69035, AR-1L2402, C10-H14-O3-S, ACN-050112, T0726, Propyl p-toluenesulfonate, 99% - 100G 100g, 2342-67-8, 61698-76-8,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.066g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.279g/mol
Monoisotopic Mass	214.066g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number