1,2,3,4-tetrahydronaphthalene

• ChemBase ID: 129803
• Molecular Formular: C10H12
• Molecular Mass: 132.20228
• Monoisotopic Mass: 132.09390038
• SMILES: c1ccc2c(c1)CCCC2
• Canonical SMILES: C1CCc2c(C1)cccc2
• InChI: InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
• InChIKey: CXWXQJXEFPUFDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4-tetrahydronaphthalene
• IUPAC Traditional name: tetralin
• Synonyms: Tetralin® solvent; 1,2,3,4-Tetrahydronaphthalene; 1,2,3,4-Tetrahydronaphthalene; naphthalene 1,2,3,4-tetrahydride; Bacticin; benzocyclohexane; THN; Tetralin; 四氫萘®溶剂; 1,2,3,4-四氢萘; 1,2,3,4-四氢化萘

Database IDs

• CAS Number: 119-64-2
• EC Number: 204-340-2
• MDL Number: MFCD00001733
• Beilstein Number: 1446407
• Merck Index: 149221
• PubChem SID: 24866849; 24869179; 24874115; 24890157; 162224091
• PubChem CID: 8404
• CHEBI ID: 35008
• Chemspider ID: 8097
• KEGG ID: C14114
• Unique Ingredient Identifier: FT6XMI58YQ
• Wikipedia Title: Tetralin

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4255
• LogD (pH = 7.4): 3.4255
• Log P: 3.4255
• Molar Refractivity: 43.5402 cm^3
• Polarizability: 16.869724 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: Clear, colorless liquid
• Melting Point: -35 °C(lit.); -35.8°C; -36°C
• Boiling Point: 206 - 208°C; 206-207°C; 207 °C(lit.)
• Flash Point: 159.8 °F; 71 °C; 77 °C; 77°C(171°F)
• Auto Ignition Point: 385 °C; 723 °F
• Density: 0.966; 0.970 g/cm3; 0.973 g/mL at 25 °C(lit.)
• Refractive Index: 1.5400; n20/D 1.541(lit.); n20/D 1.542
• Vapor Pressure: 0.18 mmHg ( 20 °C)
• Vapor Density: 4.55 (vs air)
• Viscosity: 2.02 cP at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• RTECS: QK3850000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082; UN3082
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 19-36/38-51/53
• Safety Statements: 2-26-28-61; 26-28-61; 26-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• Explode Limits: 0.8 %, 100 °F; 5 %, 150 °F
• GHS Hazard statements: H302-H315-H319-H411; H315-H319-H227-H411; H315-H319-H411
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P273-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥97%; ≥99.5% (GC); 95+%; 97%; 99%
• Grade: analytical standard; anhydrous; reagent grade; ReagentPlus®
• Impurities: <0.005% water
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C10H12

DETAILS

Sigma Aldrich - 102415

Packaging
5 mL in glass bottle
Legal Information
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 95462

Legal Information
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 522651

Packaging
1 L in Sure/Seal™
Legal Information
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 429325

Other Notes
May darken in storage
Packaging
1, 4 L in glass bottle
100 mL in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 456438

Packaging
20 L in steel drum
4 L in glass bottle
Legal Information
Tetralin is a registered trademark of Sigma-Aldrich Co. LLC