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106-97-8 molecular structure
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butane

ChemBase ID: 92079
Molecular Formular: C4H10
Molecular Mass: 58.1222
Monoisotopic Mass: 58.07825032
SMILES and InChIs

SMILES:
CCCC
Canonical SMILES:
CCCC
InChI:
InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
InChIKey:
IJDNQMDRQITEOD-UHFFFAOYSA-N

Cite this record

CBID:92079 http://www.chembase.cn/molecule-92079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butane
IUPAC Traditional name
butane
butyl group
Synonyms
butane fuel
butane gas
gas butane
Butane, fuel for Micro Torch
Butane
Butane
Butane 98+%
丁烷
CAS Number
106-97-8
EC Number
203-448-7
MDL Number
MFCD00009424
Beilstein Number
969129
PubChem SID
24872900
24851369
162078777
24868067
PubChem CID
7843
CHEBI ID
37808
CHEMBL
134702
Chemspider ID
7555
Gmelin ID
1148
KEGG ID
D03186
MeSH Name
butane
Unique Ingredient Identifier
6LV4FOR43R
Wikipedia Title
Butane

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2420006  LogD (pH = 7.4) 2.2420006 
Log P 2.2420006  Molar Refractivity 20.2062 cm3
Polarizability 8.135983 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
61 mg L-1 (at 20 °C) in water expand Show data source
Apperance
Colorless gas expand Show data source
gas expand Show data source
Melting Point
-138 °C(lit.) expand Show data source
-138°C expand Show data source
-140.15 - -134.15°C (133 - 139 K) expand Show data source
Boiling Point
-0.5 °C(lit.) expand Show data source
-1 to 0°C expand Show data source
-1.14999999999998 - 0.850000000000023°C (272 - 274 K) expand Show data source
Flash Point
-117 °F expand Show data source
-60°C (-76°F) expand Show data source
-83 °C expand Show data source
Auto Ignition Point
288°C (550.4°F) expand Show data source
761 °F expand Show data source
Density
0.579 expand Show data source
0.579 g/mL at 20 °C(lit.) expand Show data source
2.48 g dm-3 (at 15 °C) expand Show data source
Vapor Pressure
~25 PSI (at 50 °F) expand Show data source
51.6 psi ( 37.7 °C) expand Show data source
Vapor Density
2.11 (vs air) expand Show data source
Partition Coefficient
2.745 expand Show data source
Henry Constant
11 nmol Pa-1 kg-1 expand Show data source
Odor
Odorless expand Show data source
Heat Capacity
98.49 J K-1 mol-1 expand Show data source
Std enthalpy of combustion
-2.8781–-2.8769 MJ mol-1 expand Show data source
Std enthalpy of formation
-126.3–-124.9 kJ mol-1 expand Show data source
Storage Warning
Extremely Flammable expand Show data source
RTECS
EJ4200000 expand Show data source
European Hazard Symbols
Highly flammable Highly flammable (F+) expand Show data source
UN Number
1011 expand Show data source
2037 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
- expand Show data source
nwg expand Show data source
Hazard Class
2.1 expand Show data source
Risk Statements
12 expand Show data source
R12 expand Show data source
Safety Statements
9-16 expand Show data source
S2 S16 expand Show data source
EU Index
601-004-00-0 expand Show data source
GHS Pictograms
GHS flame expand Show data source
GHS02 expand Show data source
GHS04 expand Show data source
GHS Signal Word
DANGER expand Show data source
Danger expand Show data source
NFPA704
NFPA 704 diagram
4
1
0
expand Show data source
Explode Limits
1.8–8.4% expand Show data source
8.4 % expand Show data source
GHS Hazard statements
220 expand Show data source
H220-H280 expand Show data source
GHS Precautionary statements
210 expand Show data source
P210-P410 + P403 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1011 2.1 expand Show data source
UN 2037 2.1 expand Show data source
Purity
≥99.0% (GC) expand Show data source
99% expand Show data source
Concentration
1% in helium expand Show data source
Packaging
pkg of 156 g expand Show data source
Impurities
≤50 mg/kg S expand Show data source
2,2-dimethyl-propane expand Show data source
isobutane expand Show data source
Linear Formula
CH3CH2CH2CH3 expand Show data source
Empirical Formula (Hill Notation)
C4H10 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 494402 external link
Packaging
170 g in steel cylinder
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.
Sigma Aldrich - 18921 external link
Other Notes
Sales restrictions may apply
Packaging
pressure tin with 250 mL (net ~145 g)
Sigma Aldrich - 443670 external link
General description

• Triple-refined formula reduces clogging of filters
• Special vapor pressure promotes consistent ignition
• Contains no CFC’s, canister includes single-piece universal filling tip
• Recommended refill for all Ultratorch® & Master Butane-powered products
• 26g of butane fuel per can
Legal Information
Ultratorch is a registered trademark of Master Appliance Corp.
Sigma Aldrich - 321575 external link
Application
For calibrating analytical instruments.
Packaging
Packaged in lightweight no-return cylinder
Recommended products
Control valve Z166995 or regulator Z167002 is recommended.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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