CAS 32178-63-5 8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid (HCID 3624709)

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Basic information

CAS: 32178-63-5
Standard SMILES: COc1cccc2c1CC(C(=O)O)CC2
InChIKey: VOAFGTBETRJDPU-UHFFFAOYSA-N
Molecular formula: C12H14O3
Average molar mass: 206.24 g/mol
Monoisotopic mass: 206.09429431

Names & identifiers

Preferred name: 8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic Acid
IUPAC: 8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
English name: 8-Methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Molecular formula: C12H14O3
Molecular weight: 206.24

Names & synonyms

32178-63-58-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic AcidDTXSID30394409RefChem:312114DTXCID803452698-Methoxy-1,2,3,4-tetrahydronaphtalene-2-carboxylic acidMFCD010756578-Methoxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acidZ7WS3A89NB2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-8-methoxy-UNII-Z7WS3A89NBSCHEMBL345918

Show more names

8-Methoxy-1,2,3,4-tetrahydronaphthale8-Methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxyl8-Methoxy-1,2,3,4-tetrahydro-phthalene-2-carboxylic acid1,2,3,4-tetrahydro-8-methoxynaphthalene-2-carboxylic acid2-Naphthalenecarboxylicacid, 1,2,3,4-tetrahydro-8-Methoxy-8-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID, 9

F2191-0019VOAFGTBETRJDPU-UHFFFAOYSA-N8-methoxytetralin-2-carboxylic acidSTR04800AKOS015852136SB36580SY029583DB-048178

Database identifiers

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 239

Physicochemical properties

Melting point: 141 · 141-143°C
Boiling point: 397.3 · 397.3±42.0 °C(Predicted)
Density: 1.195 · 1.195±0.06 g/cm3(Predicted)
pka: 4.67 · 4.67±0.20(Predicted)
BRN: 2269890 · 2269890
FDA UNII: 7 WS3A89NB · Z7WS3A89NB
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: Xn
Risk Statements: 36 · 36/37/38-51-22
Safety Statements: 26 · 26-36

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)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.