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58243-85-9

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Basic Information
CAS No.: 58243-85-9
Name: 3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carbaldehyde
Molecular Structure:
Molecular Structure of 58243-85-9 (3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carbaldehyde)
Formula: C17H24 O
Molecular Weight: 244.377
Synonyms: 2-Naphthaldehyde,3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl- (6CI,7CI)
Density: 0.948g/cm3
Boiling Point: 329.6°Cat760mmHg
Flash Point: 111.9°C
Safety: Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 17.07000
LogP: 4.41050
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Chemistry

Product Name: Formylethyltetramethyltetralin (CAS NO.58243-85-9)


Molecular Formula: C17H24O
Molecular Weight: 244.37186g/mol
Mol File: 58243-85-9.mol
EINECS: 261-182-7
Boiling point: 329.6 °C at 760 mmHg
Flash Point: 111.9 °C
Density: 0.948 g/cm3
Surface Tension: 33.8 dyne/cm
Enthalpy of Vaporization: 57.21 kJ/mol
Vapour Pressure: 0.000175 mmHg at 25°C
XLogP3-AA: 5.3
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Formylethyltetramethyltetralin (CAS NO.58243-85-9):
  IUPAC Name: 3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
  Canonical SMILES: CCC1=CC2=C(C=C1C=O)C(CCC2(C)C)(C)C
  InChI: InChI=1S/C17H24O/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-11H,6-8H2,1-5H3 
  InChIKey: QCWQUWUCARNNRI-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     FCTOD7    Food and Chemical Toxicology. 21 (1983),853.
2.    

eye-rbt 100 mg MLD

     FCTOD7    Food and Chemical Toxicology. 21 (1983),853.
3.    

orl-rat LD50:3200 mg/kg

     FCTOD7    Food and Chemical Toxicology. 21 (1983),853.

Safety Profile

Moderately toxic by ingestion. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Formylethyltetramethyltetralin , its CAS NO. is 58243-85-9, the synonyms are 1,1,4,4-Tetramethyl-6-ethyl-7-formyltetralin ; 4-07-00-01118 (Beilstein Handbook Reference) ; 5,6,7,8-Tetrahydro-3-ethyl-5,5,8,8-tetramethyl-2-naphthalenecarboxaldehyde ; 6-Ethyl-7-formyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene ; BRN 2650998 ; EINECS 261-182-7 ; FETT ; Tetramethylethylformyltetralin ; 2-Naphthalenecarboxaldehyde, 3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl- ; 2-Naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-3-ethyl-5,5,8,8-tetramethyl- ; 3-Ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethylnaphthalene-2-carbaldehyde .