2,2-Dimethylbutane Structure

2,2-Dimethylbutane

Chemical Properties

Melting point −102 to −98 °C; −152 to −145 °F; 171 to 175 K
Boiling point 49.7 to 49.9 °C; 121.4 to 121.7 °F; 322.8 to 323.0 K
Density  649 g/L
vapor density  2.97 (vs air)
vapor pressure  5.35 psi ( 20 °C)
refractive index  1.3688
Flash point −48 °C (−54 °F; 225 K) closed cup
storage temp.  Flammables area
solubility  In methanol: 590 and 800 g/L at 5 and 10 °C, respectively. Miscible at higher temperatures (Kiser et al., 1961). Miscible with other aliphatic hydrocarbons, e.g., pentane, hexane, heptane, etc.
pka >14 (Schwarzenbach et al., 1993)
form  liquid
color  Colorless
Odor Threshold 20ppm
explosive limit ~7.7%
Water Solubility  insoluble
Thermal Conductivity 0.0934 W/(m·K) at 25 ℃
Specific Heat Capacity Cp(liquid): 2.23 J/(g·K), at 25℃
BRN  1730736
Henry's Law Constant 1.69(atmm3/mol) at 25 °C (Mackay and Shiu, 1981)
Exposure limits ACGIH TLV: TWA and STEL for all isomers except n-hexane are 500 and 1,000 ppm, respectively (adopted).
Dielectric constant 1.8700000000000001
Stability Stable, but may be moisture sensitive. Highly flammable. Incompatible with strong oxidizing agents.
InChI 1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
InChIKey HNRMPXKDFBEGFZ-UHFFFAOYSA-N
SMILES CCC(C)(C)C
Surface tension 16.23mN/m at 293.15K
CAS DataBase Reference 75-83-2(CAS DataBase Reference)
FDA UNII 07L56L3MP2
NIST Chemistry Reference Butane, 2,2-dimethyl-(75-83-2)
EPA Substance Registry System 2,2-Dimethylbutane (75-83-2)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
Signal wordDanger
Hazard statements H315-H336-H304-H411-H225
Precautionary statements P501-P273-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F,Xn,N
Risk Statements  11-38-51/53-65-67
Safety Statements  9-16-29-33-61-62
OEB A
OEL TWA: 100.0 ppm; 350.0 mg/m3, STEL: 510.0 ppm; 1800.0 mg/m3
RIDADR  UN 1208 3/PG 2
WGK Germany  3
RTECS  EJ9300000
Autoignition Temperature 797 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  2901100000
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data 75-83-2(Hazardous Substances Data)
Toxicity Reported as an impurity (0.2 wt %) in 99.0–99.7 wt % 2,3-dimethylbutane (Chevron Phillips, 2004).
NFPA 704:
3
2 0

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