Basic information
- CAS
776-50-1- Standard SMILES
O=C(O)Cc1cccc2c1CCCC2- InChIKey
HBYIJKKZLCCVML-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 2-(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid
- IUPAC
- 2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
- English name
- 2-tetralin-1-ylacetic acid
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetic acidRefChem:458422895-506-9776-50-11-Naphthaleneacetic acid, 5,6,7,8-tetrahydro-NSC31628SCHEMBL3408719DTXSID40998811HBYIJKKZLCCVML-UHFFFAOYSA-NNSC28947NSC-28947NSC-31628
Show more names
2-tetralin-1-ylacetic acid(1,2,3,4-tetrahydro-5-naphthyl)acetic acid
AKOS0049068495,6,7,8-tetrahydronaphthalen-1-ylacetic acidG55753EN300-1590340(5,6,7,8-Tetrahydronaphthalen-1-yl)acetic acid
Database identifiers
- CAS
776-50-1- PubChem CID
- 231978
- DTXSID
DTXSID40998811- EC Number
- 895-506-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 130 · 130-131 °C
- Boiling point
- 137 · 137-138 °C(Press: 3 Torr)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 4.32 · 4.32±0.10(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Chemistry & industry
Suppliers2 total
常州协丰医药研发有限公司519-85601385 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
1 records
Compound notes
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