Cas no 22915-73-7 (1,6-Hexanediol,1,6-dibenzoate)
1,6-Hexanediol,1,6-dibenzoate structure
Product Name:1,6-Hexanediol,1,6-dibenzoate
CAS No:22915-73-7
MF:C20H22O4
MW:326.386286258698
CID:279395
PubChem ID:261668
Update Time:2025-04-19
1,6-Hexanediol,1,6-dibenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,6-Hexanediol,1,6-dibenzoate
- 1,6-bis(3,4-methylenedioxyphenyl)hexane-1,6-dione
- 1,6-Bis-benzo[1,3]dioxol-5-yl-hexan-1,6-dion
- 1,6-bis-benzo[1,3]dioxol-5-yl-hexane-1,6-dione
- 1,6-Bis-benzoyloxy-hexan
- 1,6-bis-benzoyloxy-hexane
- 1,6-hexanediol dibenzoate
- AC1L5TT5
- AC1Q5GL1
- AG-K-10061
- AR-1B8240
- CTK5B5607
- KST-1B7260
- NSC36273
- DTXCID8027539
- 22915-73-7
- NSC94555
- SCHEMBL225815
- hexamethylene glycol dibenzoate
- 1,6-Hexanediol, 1,6-dibenzoate
- UNII-XJ2URK5YMC
- hexane-1,6-diyl dibenzoate
- NCGC00254374-01
- CAS-22915-73-7
- Tox21_300525
- TYTTZVDFWCBYPG-UHFFFAOYSA-N
- Hexamethylene dibenzoate
- NCGC00248085-01
- 6-(Benzoyloxy)hexyl benzoate #
- NSC-94555
- 1,6-Bis(benzoyloxy)hexane
- 6-benzoyloxyhexyl benzoate
- XJ2URK5YMC
- CHEMBL3184247
- AKOS001713904
- DTXSID0047539
-
- Inchi： 1S/C20H22O4/c21-19(17-11-5-3-6-12-17)23-15-9-1-2-10-16-24-20(22)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2
- InChI Key： TYTTZVDFWCBYPG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)CCCCCCOC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 326.15186
- Monoisotopic Mass: 326.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 332
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.117
- Boiling Point: 456.4°Cat760mmHg
- Flash Point: 226.1°C
- Refractive Index: 1.546
- PSA: 52.6
- LogP: 4.26080
1,6-Hexanediol,1,6-dibenzoate Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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