Basic information
- CAS
500-67-4- Standard SMILES
CCCCCCCc1cc(O)cc(O)c1- InChIKey
QENPJKGENOZEEJ-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Overview
5-Heptylresorcinol has been reported in Ardisia virens with data available.
Names & identifiers
- Preferred name
- 5-Heptylresorcinol
- IUPAC
- 5-heptylbenzene-1,3-diol
- English name
- 5-Heptylresorcinol
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
5-HeptylresorcinolsphaerophorolSpherophorolSPHAEROPHEROL1,3-Benzenediol, 5-heptyl-B4PET57Y6RRESORCINOL, 5-HEPTYL-DTXSID00198173RefChem:102705DTXCID30120664QENPJKGENOZEEJ-UHFFFAOYSA-N500-67-4
Show more names
SPHEROPHORAL5-Heptyl-1,3-benzenediol7-methylheptanoicacid5-HEPTYLRESORCINOL 95%3,5-Dihydroxyheptylbenzene
5-heptylbenzene-1,3-diol1,3-Benzenediol,5-heptyl-MFCD000371755-Heptyl-1,3-benzenediol #1,3-Dihydroxy-5-heptylbenzeneSpherophorol; 5-Heptyl-1,3-benzenediol; 3,5-Dihydroxy-1-heptylbenzeneEINECS 207-909-3UNII-B4PET57Y6R
Database identifiers
- CAS
500-67-4- PubChem CID
- 68142
- DTXSID
DTXSID00198173- UNII
- B4PET57Y6R
- EC Number
- 207-909-3
- Nikkaji
- J182.250K
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 55 · 55-57°C
- Boiling point
- 342.3 · 342.3±12.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.57 · 9.57±0.10(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C13H20O2/c1-2-3-4-5-6-7-11-8-12(14)10-13(15)9-11/h8-10,14-15H,2-7H2,1H3
- InChIKey
- QENPJKGENOZEEJ-UHFFFAOYSA-N
- SMILES
- C1(O)=CC(CCCCCCC)=CC(O)=C1
- FDA UNII
- 4 PET57Y6R · B4PET57Y6R
Chemistry & industry
Applications
Uses5-Heptylresorcinol and other alkylhydroxybenzenes have been used to study the protective effect in Saccharomyces cerevisiae against oxidative and radiation-caused damage.
Suppliers95 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
Shandong Deshang Chemical Co., Ltd.+86-0531-8875-2665 +86-13153039501 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017-8007 17602929471
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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