Basic information
- CAS
162358-03-4- Standard SMILES
CCCCCCCC(=O)c1ccc(CCOC(C)=O)cc1- InChIKey
YRGCTTARENKHBN-UHFFFAOYSA-N- Molecular formula
- C18H26O3
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.18819469
Names & identifiers
- Preferred name
- 4-Octanoylphenethyl acetate
- IUPAC
- 2-(4-octanoylphenyl)ethyl acetate
- English name
- 1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-
- Molecular formula
- C18H26O3
- Molecular weight
- 290.4
Names & synonyms
4-Octanoylphenethyl acetate162358-03-42-(4-octanoylphenyl)ethyl acetate1-Octanone,1-[4-[2-(acetyloxy)ethyl]phenyl]1-Octanone, 1-[4-[2-(acetyloxy)ethyl]phenyl]-1-Octanone,1-[4-[2-(acetyloxy) ethyl]phenyl]-orb1991160SCHEMBL4293988DTXSID70617189YRGCTTARENKHBN-UHFFFAOYSA-N2-(4-octanoyl phenyl)ethyl acetateAKOS016007553
Show more names
1-[4-[2-(Acetyloxy)ethyl]phenyl]-1-octanone
T125669
Database identifiers
- CAS
162358-03-4- PubChem CID
- 21707528
- DTXSID
DTXSID70617189
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 406.6 · 406.6±28.0 °C(Predicted)
- Density
- 1.003 · 1.003±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
JiangXi Bobert Imp&Exp Co.,LTD18071643627 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
南京康德祥医药科技有限公司025-52643182 13914798241 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
Related reactions
9 records
Compound notes
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