(4ar,8ar)-decahydronaphthalene

• ChemBase ID: 106981
• Molecular Formular: C10H18
• Molecular Mass: 138.24992
• Monoisotopic Mass: 138.14085058
• SMILES: [C@@H]12CCCC[C@H]1CCCC2
• Canonical SMILES: C1CC[C@@H]2[C@@H](C1)CCCC2
• InChI: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-
• InChIKey: NNBZCPXTIHJBJL-MGCOHNPYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4ar,8ar)-decahydronaphthalene
• IUPAC Traditional name: trans-decalin
• Synonyms: trans-DECAHYDRONAPHTHALENE; trans-Decalin®; trans-Decahydronaphthalene; 反式十氢萘

Database IDs

• CAS Number: 493-02-7
• EC Number: 207-771-4
• MDL Number: MFCD00064191
• Beilstein Number: 2036251
• PubChem SID: 24858405; 24846987; 162088320
• PubChem CID: 7044

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

• Melting Point: -32 °C(lit.)
• Boiling Point: 185 °C/756 mmHg(lit.)
• Flash Point: 136.4 °F; 58 °C
• Auto Ignition Point: 482 °F
• Density: 0.87 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.469; n20/D 1.469(lit.)
• Vapor Pressure: 42 mmHg ( 92 °C)
• Vapor Density: 4.76 (vs air)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1147
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• Explode Limits: 0.7-4.9 %, 100 °F
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: P280-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: ≥99.0% (GC); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C10H18

DETAILS

MP Biomedicals - 05202115

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 110477

Packaging
10 g in glass bottle
Legal Information
Decalin is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 30510

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