AG000VB9

131-70-4 | 1,2-Benzenedicarboxylic acid, 1-butyl ester

AG000VB9

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CAS Number	131-70-4
Catalog Number	AG000VB9(AGN-PC-03DGHI)
Chemical Name	1,2-Benzenedicarboxylic acid, 1-butyl ester
EC Number	205-036-2
IUPAC Name	2-butoxycarbonylbenzoic acid
InChI	InChI=1S/C12H14O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)
InChI Key	YZBOVSFWWNVKRJ-UHFFFAOYSA-N
MDL Number	MFCD00043498
Molecular Formula	C12H14O4
Molecular Weight	222.2372
NSC Number	8479
SMILES	O=C(O)C1=CC=CC=C1C(OCCCC)=O
UNII	ZI46LWZ45G
Synonyms	mono-n-butyl phthalate, monobutyl phthalate, monobutyl phthalate, cobalt (2+) salt, monobutyl phthalate, copper (2+) salt, monobutyl phthalate, manganese (2+) salt, monobutyl phthalate, potassium salt, monobutyl phthalate, sodium salt, MONOBUTYL PHTHALATE, 131-70-4, Butyl hydrogen phthalate, Mono-n-butyl phthalate, 2-(Butoxycarbonyl)benzoic acid, Monobutylphthalate, Phthalic acid, monobutyl ester, Phthalic acid mono-n-butyl ester, 1,2-Benzenedicarboxylic acid, monobutyl ester, UNII-ZI46LWZ45G, NSC 8479, Phthalic Acid Monobutyl Ester, mono-Butyl phthalate, EINECS 205-036-2, 2-butoxycarbonylbenzoic acid, BRN 2051402, ZI46LWZ45G, AI3-01768, 1,2-Benzenedicarboxylic acid, 1-butyl ester, CHEBI:88522, Mono-n-butyl-phthalate, MnBP, monobutyl-phthalate, 1, monobutyl ester, Phthalic acid 1-butyl, Phthalic acid butyl ester, 2-(Butoxycarbonyl)benzoate, AC1L1RA1, DSSTox_CID_20002, DSSTox_RID_79438, BIDD:PXR0137, DSSTox_GSID_40002, 34-74-2, SCHEMBL151027, AC1Q66W6, CHEMBL2447930, DTXSID4040002, CTK3J2988, NSC8479, 2-(Butoxycarbonyl)benzoic acid #, YZBOVSFWWNVKRJ-UHFFFAOYSA-N, Phthalic acid, mono-n-butyl ester, NSC-8479, ZINC1586773, Tox21_300888, 5987AF, MFCD00043498, AKOS015888413, MCULE-2631461077, RTR-004335, KS-00000Z43, mono-Butyl phthalate, analytical standard, NCGC00168325-01, NCGC00168325-02, NCGC00254792-01, AJ-27592, AK-57667, CAS-131-70-4, CC-33768, 1,2-Benzenedicarboxylicacid,1-butyl ester, DB-042049, LS-109357, TR-004335, 1,2-Benzenedicarboxylic Acid 1-Butyl Ester, FT-0623310, P1132, mono-Butyl phthalate, 97.0-103.0% (T), AG-205/06968036, C-12393, J-006038, I01-10167, mono-n-butylphthalate, -n-butyl-phthalate, 2-butoxycarbonylbenzoicacid, MnBP (Mono-n-butyl phthalate), C12H14O4, monobutyl phthalate, sodium salt, CID8575, monobutyl phthalate, potassium salt, AR-1J6829, C12-H14-O4, monobutyl phthalate, cobalt (2+) salt, monobutyl phthalate, copper (2+) salt, monobutyl phthalate, manganese (2+) salt, 4-09-00-03175 (Beilstein Handbook Reference), MBP, C028577, 78891-97-1,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.24g/mol
Monoisotopic Mass	222.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

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