Basic information
- CAS
5325-97-3- Standard SMILES
c1cc2c(c3c1CCCC3)CCCC2- InChIKey
YSZLFGZFQTTZIQ-UHFFFAOYSA-N- Molecular formula
- C14H18
- Average molar mass
- 186.29 g/mol
- Monoisotopic mass
- 186.14085057
Names & identifiers
- Preferred name
- 1,2,3,4,5,6,7,8-Octahydrophenanthrene
- IUPAC
- 1,2,3,4,5,6,7,8-octahydrophenanthrene
- English name
- 1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHRENE
- Molecular formula
- C14H18
- Molecular weight
- 186.29
Names & synonyms
1,2,3,4,5,6,7,8-Octahydrophenanthrene5325-97-3Phenanthrene, 1,2,3,4,5,6,7,8-octahydro-6JV3P6WV3CNSC-240EINECS 226-199-6SYM-OCTAHYDROPHENANTHRENEDTXSID50201363NSC 240RefChem:71245DTXCID50123854226-199-6
Show more names
Octahydrophenanthrene1,2,3,4,5,6,7,8-0ctahydrophenanthrene1,2,3,4,5,6,7,8-Octahydrophenanthrene>1,2,3,4,5,6,7,8-Octahydrophenanthrene (>85%)1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHRENE 95+% GC1,2,3,4,5,6,7,8-Octahydrophenanthrene, ≥ 95.0%1,2,3,4,5,6,7,8-Octahydrophenanthrene in isooctane
InChI=1/C14H18/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h9-10H,1-8HYSZLFGZFQTTZIQ-UHFFFAOYSA-NMFCD000589431,2,3,4,5,6,7,8-octahydro-phenanthrene1,2,3,4,5,6,7,8-Octahydrophenanthrene (>85%)UNII-6JV3P6WV3CSCHEMBL814299SCHEMBL817011
Database identifiers
- CAS
5325-97-3- PubChem CID
- 79221
- DTXSID
DTXSID50201363- UNII
- 6JV3P6WV3C
- EC Number
- 226-199-6
- Nikkaji
- J7.972C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 16.7 °C · 16.7°C
- Boiling point
- 295 °C · 295 °C
- Density
- 1.03 · 1.03
- refractive index
- 1.565 to · 1.5650 to 1.5680
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- CAS DataBase Reference
- 5325 · 5325-97-3(CAS DataBase Reference)
- FDA UNII
- 6 JV3P6WV3C · 6JV3P6WV3C
- HS Code
- 2902.9 · 2902.90.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2902.90.9000
Chemistry & industry
Applications
Uses1,2,3,4,5,6,7,8-Octahydrophenanthrene is a polyaromatic hydrocarbon (PAH), an environmental pollutant.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers21 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TCI AMERICA
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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