5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

HCID 227638

Notes Reactions

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Basic information

CAS: 103031-30-7
Standard SMILES: CC1(C)CCC(C)(C)c2cc(C(=O)O)ccc21
InChIKey: KSEZYZSBKCPEKP-UHFFFAOYSA-N
Molecular formula: C15H20O2
Average molar mass: 232.32 g/mol
Monoisotopic mass: 232.14632988

Names & identifiers

Preferred name: 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
IUPAC: 5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid
English name: 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid
Molecular formula: C15H20O2
Molecular weight: 232.32

Names & synonyms

103031-30-75,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acidDTXSID60280982RefChem:298262DTXCID90232136869-444-85,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acidMFCD041153825,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxylic acid5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenecarboxylic acid5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthoic acid5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carboxylic acid

Show more names

5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarboxylic a5,5,8,8-tetraMethyl-5,6,7,8-tetrahydro-naphthalen-2-carboxylic acid

AKOS MSC-0168KSEZYZSBKCPEKP-UHFFFAOYSA-NNSC195372-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-SCHEMBL846110CHEMBL552060SCHEMBL29827631EBC-13649

Database identifiers

CAS: 103031-30-7
PubChem CID: 227638
DTXSID: DTXSID60280982
ChEMBL: CHEMBL552060
EC Number: 869-444-8
Nikkaji: J1.351.018K

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 317

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

Uses5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydronaphthalene-2-Carboxylic Acid is used in preparation of Tetrahydronaphthalenesulfonamides as CYP26 enzyme inhibitors.