Cas no 67700-24-7 (4-chlorooctan-1-ol)
4-chlorooctan-1-ol structure
Product Name:4-chlorooctan-1-ol
CAS No:67700-24-7
MF:C8H17ClO
MW:164.672981977463
CID:966701
PubChem ID:106773
Update Time:2025-04-19
4-chlorooctan-1-ol Chemical and Physical Properties
Names and Identifiers
-
- 4-chlorooctan-1-ol
- 1-Octanol, 4-chloro-
- Linseed oil, soybean oil, pentaerythritol, ethylene glycol, glycerine, phthalic anhydride polymer
- NS00055943
- EINECS 266-918-0
- DTXSID40886865
- 67700-24-7
- MMVJPTKAKBJYGU-UHFFFAOYSA-N
-
- Inchi: 1S/C8H17ClO/c1-2-3-5-8(9)6-4-7-10/h8,10H,2-7H2,1H3
- InChI Key: MMVJPTKAKBJYGU-UHFFFAOYSA-N
- SMILES: ClC(CCCO)CCCC
Computed Properties
- Exact Mass: 164.09691
- Monoisotopic Mass: 164.0967929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 66.3
- 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: 2.7
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
4-chlorooctan-1-ol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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