Cas no 67874-77-5 (3,7-dimethyloctyl phenylacetate)
67874-77-5 structure
Product Name:3,7-dimethyloctyl phenylacetate
CAS No:67874-77-5
MF:C18H28O2
MW:276.413725852966
CID:967483
PubChem ID:106936
Update Time:2025-04-19
3,7-dimethyloctyl phenylacetate Chemical and Physical Properties
Names and Identifiers
-
- 3,7-dimethyloctyl phenylacetate
- 3,7-dimethyloctyl 2-phenylacetate
- 3,7-Dimethyloctanyl phenylacetate
- Benzeneacetic acid, 3,7-dimethyloctyl ester
- DTXSID50886992
- EINECS 267-505-8
- NS00055801
- 67874-77-5
- ZLNHKBABSKKKMS-UHFFFAOYSA-N
-
- Inchi： 1S/C18H28O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3
- InChI Key： ZLNHKBABSKKKMS-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC=CC=1)=O)CCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 276.20904
- Monoisotopic Mass: 276.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3,7-dimethyloctyl phenylacetate Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
67874-77-5 (3,7-dimethyloctyl phenylacetate) Related Products
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