118451

3,3-Dimethylpentane

99%

• Synonym(s): 3,3-Dimethylpentane
• Linear Formula: CH₃CH₂C(CH₃)₂CH₂CH₃
• CAS Number: 562-49-2
• Molecular Weight: 100.20
• Beilstein: 1696854
• EC Number: 209-230-8
• MDL number: MFCD00009322
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847373
• NACRES: NA.22

Properties

• vapor pressure: 2.77 psi ( 37.7 °C)
• Assay: 99%
• expl. lim.: ~7 %
• refractive index: n20/D 1.392 (lit.)
• bp: 86 °C (lit.)
• mp: −135 °C (lit.)
• density: 0.693 g/mL at 25 °C (lit.)
• SMILES string: CCC(C)(C)CC
• InChI: 1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3
• InChI key: AEXMKKGTQYQZCS-UHFFFAOYSA-N

Description

General description

3,3-Dimethylpentane isomerizes via a methyl shift mechanism on oxygen-exposed tungsten carbides.

Application

3,3-Dimethylpentane was used in the development and evaluation of the epiocular-eye irritation test.

Safety Information

• Pictograms: GHS02,GHS08,GHS07,GHS09
• Signal Word: Danger
• Hazard Statements: H225,H304,H315,H336,H410
• Precautionary Statements: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Central nervous system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 19.4 °F - closed cup
• Flash Point(C): -7 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves