Cas no 101976-14-1 (1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, ammonium salt (9CI))
101976-14-1 structure
Product Name:1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, ammonium salt (9CI)
CAS No:101976-14-1
MF:C12H17NO4
MW:239.267683744431
CID:176033
PubChem ID:3064109
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, ammonium salt (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, ammonium salt (9CI)
- azanium,2-(2-methylpropoxycarbonyl)benzoate
- Mono-sec-butyl phthalate ammonium salt
- Ammonium 2-(isobutoxycarbonyl)benzoate
- Phthalic acid, mono-sec-butyl ester, ammonium salt
- starbld0026473
- Mono-isobutyl phthalate ammonium salt
- DTXSID80144471
- UNII-9O5V9B66G9
- 101976-14-1
- NIOSH/TI2480100
- TI24801000
- Phthalic acid, monoisobutyl ester, ammonium salt
- 9O5V9B66G9
-
- Inchi： 1S/C12H14O4.H3N/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14;/h3-6,8H,7H2,1-2H3,(H,13,14);1H3
- InChI Key： FOMDNQDHJPVRSO-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)[O-])=O)CC(C)C.[NH4+]
Computed Properties
- Exact Mass: 239.11581
- Monoisotopic Mass: 239.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 254
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- Boiling Point: 356.6°Cat760mmHg
- Flash Point: 135°C
- PSA: 102.93
- LogP: 1.23910
1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, ammonium salt (9CI) Security Information
- Signal Word：Warning
- Storage Condition：Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, ammonium salt (9CI) Related Literature
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
101976-14-1 (1,2-Benzenedicarboxylicacid, mono(2-methylpropyl) ester, ammonium salt (9CI)) Related Products
- 131-16-8(Di-n-propyl Phthalate)
- 30833-53-5(Monoisobutyl Phthalate)
- 1528-53-6(Tripropyl benzene-1,2,4-tricarboxylate)
- 4376-19-6(Monopropyl Phthalate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
Recommended suppliers
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
