n-Heptane-d{16}, 98% (Isotopic)

Description

CAS: 33838-52-7 | C7H16 | 100.21 g/mol

n-Heptane-d{16} is used as a test fuel component in anti-knock test engines, a 100% heptane fuel is the zero point of the octane rating scale. Heptane is commercially available as mixed isomers for use in paints and coatings, as the rubber cement solvent, n-heptane for research and development and pharmaceutical manufacturing and as a minor component of gasoline.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 33838-52-7
• Molecular Formula: C7H16
• Molecular Weight (g/mol): 100.21
• MDL Number: MFCD00062744
• InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N
• Synonym: heptane-d16, n-heptane-d 16, 2h16 heptane, hexadecadeuterio-heptane, 2 h?? heptane, heptane-d16, 99 atom % d
• PubChem CID: 524600
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane
• SMILES: CCCCCCC

• Physical Form: Liquid
• Packaging: Prescored Ampule
• Quantity: 1 g
• Density: 0.794 g/mL
• Sensitivity: Hygroscopic
• Refractive Index: 1.3877
• Flash Point: −4°C (24°F)
• Melting Point: -91°C to -89°C
• Boiling Point: 97°C to 99°C
• UN Number: UN1206
• Beilstein: 1730763
• Solubility Information: Difficult to mix.
• Formula Weight: 116.33
• Percent Purity: 98%
• Chemical Name or Material: n-Heptane-d{16}, Isotopic

Safety and Handling

Hazard Category	H224-H304-H315-H319-H336
Hazard Statement	GHS H Statement H225-H304-H315-H336 Highly flammable liquid and vapor. May be fatal if swallowed and enters airways. Causes skin irritation. May cause drowsiness or dizziness.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P271-P280-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P312-P331-P332+P313-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: HEPTANES
EINECSNumber	205-563-8
RTECSNumber	MI7700000
TSCA	No
Recommended Storage	Ambient

SDS

RUO – Research Use Only