decahydronaphthalene

• ChemBase ID: 88722
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: C1CCC2C(C1)CCCC2
• Canonical SMILES: C1CCC2C(C1)CCCC2
• InChI: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
• InChIKey: NNBZCPXTIHJBJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decahydronaphthalene
• IUPAC Traditional name: DEC; decalin
• Synonyms: Decalin; Bicyclo[4.4.0]decane; Decahydronaphthalene 98%; Decalin®; Decahydronaphthalene, mixture of cis + trans; Decalin; Decahydronaphthalene, cis + trans; decahydroNaphthalene; Naphthalane; Bicyclo(4.4.0) decane; De-kalin; Dekalina; Naphthane; Perhydronaphthalene; DECAHYDRONAPHTHALENE, CERTIFIED GRADE; INTRINISIC FACTOR CONCENTRATE,NF XI; 十氢萘，顺式和反式的混合物; 十氢化萘, 顺式 + 反式

Database IDs

• CAS Number: 91-17-8; 493-01-6
• EC Number: 202-046-9
• MDL Number: MFCD00004130
• Beilstein Number: 878165
• Merck Index: 142846
• PubChem SID: 24857736; 162075641; 24893691; 24869181
• PubChem CID: 7044
• CHEBI ID: 38853
• Chemspider ID: 6777
• Wikipedia Title: Decalin

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6668615
• LogD (pH = 7.4): 3.6668615
• Log P: 3.6668615
• Molar Refractivity: 44.103 cm^3
• Polarizability: 17.72628 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: <-45°C; -125 °C(lit.); -125°C; racemate: -40 °C (-40 °F); trans: -31 °C (-23 °F); cis: -43 °C (-45 °F)
• Boiling Point: 189-191 °C; 189-191 °C(lit.); 189-191°C; 189-191°C; trans: 187 °C (369 °F); cis: 196 °C (384 °F)
• Flash Point: 134.6 °F; 57 °C; 57°C; 57°C(134°F)
• Auto Ignition Point: 250 °C; 482 °F
• Density: 0.88; 0.896 g/cm3; 0.896 g/ml; 0.896 g/mL at 25 °C(lit.)
• Refractive Index: 1.4740; n20/D 1.474; n20/D 1.474(lit.)
• Vapor Pressure: 42 mm Hg @ 92 deg C; 42 mmHg ( 92 °C); 741 mmHg ( 188 °C)
• Vapor Density: 4.76 (vs air); 4.76 g/L

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Flammable/Irritant
• RTECS: QJ3150000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X; Harmful (Xn)
• UN Number: 1147; UN1147
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Australian Hazchem: 3Y
• Risk Statements: 20-34-51/53; 20-34-51/53-65; 20-36/37/38-51/53; R:10-20/21/22-40
• Safety Statements: 26-36/37/39-45-60; 26-36/37/39-45-60-62; 9-23-26-36/37-57-60; S:16-36/37/39-45
• EU Classification: F1
• EU Hazard Identification Number: 3B
• Emergency Response Guidebook(ERG) Number: 130
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• Explode Limits: 0.7-4.9 %, 100 °F
• GHS Hazard statements: H226-H304-H314-H331-H411; H331-H315-H319-H335-H226-H303-H401-H411
• GHS Precautionary statements: P260-P280H-P273-P305+P351+P338-P309-P310; P261-P273-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1147 3/PG 3

Product Information

• Purity: ≥98% cis/trans-isomers basis (GC); ≥98.0%; ≥98.0% (GC); ≥99%; ≥99.0%; 97%; 98%; 99%
• Grade: analytical standard, for environmental analysis; anhydrous; for electrophoresis; NF; purum; reagent grade; SAJ first grade; SAJ special grade
• Impurities: <0.002% water; <0.005% water(100 mL pkg); ≤0.1% water (Karl Fischer); ≤1% tetrahydronaphthalene
• Empirical Formula (Hill Notation): C10H18

DETAILS

MP Biomedicals - 05204204

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - OR42013

Mixture of cis/trans isomers

Sigma Aldrich - 185825

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

Sigma Aldrich - 30490

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

Sigma Aldrich - 456446

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

Sigma Aldrich - D251

Packaging
1, 4 L in glass bottle
20 L in steel drum
500 mL in glass bottle
Legal Information
Decalin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 07-0055

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

Sigma Aldrich - 24219

Other Notes
Pertains only in Germany: unversteuert
Legal Information
Decalin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 07-0050

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

Sigma Aldrich - 37880

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

Sigma Aldrich - 07-0061

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

Sigma Aldrich - 294772

Packaging
1, 2 L in Sure/Seal™
100 mL in Sure/Seal™
Legal Information
Decalin is a registered trademark of Sigma-Aldrich Co. LLC