Cas no 108419-32-5 (Acetic acid,C7-9-branched alkyl esters, C8-rich)
108419-32-5 structure
Product Name:Acetic acid,C7-9-branched alkyl esters, C8-rich
CAS No:108419-32-5
MF:C10H20O2
MW:172.264603614807
CID:220134
PubChem ID:22833465
Update Time:2025-04-19
Acetic acid,C7-9-branched alkyl esters, C8-rich Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,C7-9-branched alkyl esters, C8-rich
- 3,4-dimethylhexyl acetate
- OXOOCTYLACETATE
- ACETIC ACID, ALKYL (C7 TO C9) ESTERS MIX TURE
- Essigsure, C7-C9-verzweigte Alkylester, C8-reich
- C7-9-alkyl acetates, branched, octyl acetate-rich
- 108419-32-5
- SCHEMBL15437822
- Alkyl (C=7~9)-branched acetate, (C=8)-rich
- aceticacid,c7-9-branchedalkylesters,c8-rich
-
- Inchi： 1S/C10H20O2/c1-5-8(2)9(3)6-7-12-10(4)11/h8-9H,5-7H2,1-4H3
- InChI Key： NCOFDUNMKGIVBQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CCC(C)C(C)CC
Computed Properties
- Exact Mass: 185.11800
- Monoisotopic Mass: 172.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 132
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 3.1
Experimental Properties
- Density: 0.875?g/mL?at 25?°C(lit.)
- Melting Point: -65.75°C (estimate)
- Boiling Point: 186?°C(lit.)
- Flash Point: 77?°C
- Refractive Index: n20/D 1.42(lit.)
- PSA: 57.20000
- LogP: 1.05600
Acetic acid,C7-9-branched alkyl esters, C8-rich Security Information
- RTECS：AF5900000
- Safety Term：Slightly toxic by ingestion. Experimental reproductive effects. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
- Storage Condition：Warehouse ventilation and low temperature drying
Acetic acid,C7-9-branched alkyl esters, C8-rich Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
108419-32-5 (Acetic acid,C7-9-branched alkyl esters, C8-rich) Related Products
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- 1072-33-9(Tridecyl acetate)
- 103-09-3(2-Ethylhexyl acetate)
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