Completing data — usually done within a minute
Basic information
- CAS
40228-90-8- Standard SMILES
O=C(O)CCCCCCc1ccccc1- InChIKey
ZVSXKFNTWOIGJI-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.285 g/mol
- Monoisotopic mass
- 206.13067982
Names & identifiers
- Preferred name
- 7-Phenylheptanoic acid
- IUPAC
- 7-Phenylheptanoic acid
- English name
- 7-Phenylheptanoic acid
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
RARECHEM AH CK 0155Benzeneheptanoic acid7-Phenylheptanoic acid7-Phenylheptanoicacid,97%7-Phenylheptanoic acid 95%+
Database identifiers
- CAS
40228-90-8- PubChem CID
- 520987
- DTXSID
DTXSID00334519- ChEMBL
CHEMBL253919- ChEBI
CHEBI:193307- EC Number
- 670-299-6
- Nikkaji
- J308.214H
Properties
Physicochemical properties
- Melting point
- 20 °C · 20°C
- Boiling point
- 147 · 147-150°C 0,4mm
- Density
- 1.009 · 1.009
- refractive index
- 1.507 · 1.5070
- Flash point
- 147 · 147-150°C/0.4mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 4.77 · 4.77±0.10(Predicted)
- Water Solubility
- Insoluble in water.
- BRN
- 1957081 · 1957081
- InChI
- 1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)
- InChIKey
- ZVSXKFNTWOIGJI-UHFFFAOYSA-N
- SMILES
- OC(=O)CCCCCCc1ccccc1
- CAS DataBase Reference
- 40228 · 40228-90-8(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38-36
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Irritant
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2916399090
- risk_code
- 36/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses7-Phenylheptanoic acid is used in the process to make amino acid derivatives.
Upstream & downstream products
Upstream raw materials
Suppliers32 total
山东玖玥生物科技有限公司15553333686
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
14 records
Compound notes
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