Basic Description

Synonyms	2,4,4-Trimethylpentane \| 2,2,4-Trimethylpentane, HPLC Grade \| W-109087 \| NSC 39117 \| 2,2,4-Trimethylpentane, puriss. p.a., ACS reagent, >=99.5% (GC) \| DTXCID104370 \| NCGC00258679-01 \| CHEBI:62805 \| Pentane, 2,2,4-trimethyl- \| 2,2,4-Trimethylpentane, ACS r
Specifications & Purity	for spectroscopy
Biochemical and Physiological Mechanisms	Isooctane is an isomer of octane and the standard for the 100 point in octane rating. The compound has also been used to screen for genes that make S. cerivisiae isooctane tolerant and to study their behavior.
Shipped In	Normal
Grade	for spectroscopy
Product Description	A hydrocarbon isomer of octane.

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	2,2,4-trimethylpentane
INCHI	InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3
InChi Key	NHTMVDHEPJAVLT-UHFFFAOYSA-N
Canonical SMILES	CC(C)CC(C)(C)C
Isomeric SMILES	CC(C)CC(C)(C)C
WGK Germany	2
RTECS	SA3320000
PubChem CID	10907
UN Number	1262
Packing Group	II
Molecular Weight	114.23
Beilstein	1696876

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

Find and download the COA for your product by matching the lot number on the packaging.

24 results found

Lot Number	Certificate Type	Date	Item
K2428528	Certificate of Analysis	Nov 30, 2024	I103242
K2428674	Certificate of Analysis	Nov 30, 2024	I103242
J2415677	Certificate of Analysis	Oct 17, 2024	I103242
J2415699	Certificate of Analysis	Oct 17, 2024	I103242
I2413117	Certificate of Analysis	Sep 14, 2024	I103242
H2426276	Certificate of Analysis	Aug 27, 2024	I103242
F2426161	Certificate of Analysis	Jun 28, 2024	I103242
E2406236	Certificate of Analysis	May 11, 2024	I103242
C2414807	Certificate of Analysis	Mar 25, 2024	I103242
C2414806	Certificate of Analysis	Mar 25, 2024	I103242
L2325269	Certificate of Analysis	Jan 04, 2024	I103242
L2325270	Certificate of Analysis	Jan 04, 2024	I103242
H2328613	Certificate of Analysis	Sep 07, 2023	I103242
H2315346	Certificate of Analysis	Sep 01, 2023	I103242
D2319748	Certificate of Analysis	May 08, 2023	I103242
D2319773	Certificate of Analysis	May 08, 2023	I103242
D2319774	Certificate of Analysis	May 08, 2023	I103242
J2218157	Certificate of Analysis	Oct 21, 2022	I103242
H2212450	Certificate of Analysis	Aug 31, 2022	I103242
H2212449	Certificate of Analysis	Aug 31, 2022	I103242
F2215076	Certificate of Analysis	Jul 01, 2022	I103242
E2207094	Certificate of Analysis	May 13, 2022	I103242
C2209615	Certificate of Analysis	Mar 12, 2022	I103242
C2209647	Certificate of Analysis	Mar 12, 2022	I103242

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Chemical and Physical Properties

Solubility	Insoluble in water; Miscible with Heptane,Acetone; Soluble in Ether,Benzene,Chloroform,Toluene
Refractive Index	1.39157
Flash Point(°C)	-12℃
Boil Point(°C)	99.3°C
Melt Point(°C)	-107.4°C

Safety and Hazards(GHS)

Pictogram(s)	GHS08, GHS09, GHS07, GHS02
Signal	Danger
Hazard Statements	H315:Causes skin irritation H225:Highly Flammable liquid and vapor H336:May cause drowsiness or dizziness H400:Very toxic to aquatic life H410:Very toxic to aquatic life with long lasting effects H304:May be fatal if swallowed and enters airways
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use ... to extinguish. P210:Keep away from heat, hot surface, sparks, open flames and other ignition sources. - No smoking. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P264:Wash hands [and …] thoroughly after handling. P403+P235:Store in a well-ventilated place. Keep cool. P303+P361+P353:IF ON SKIN (or hair): Take off Immediately all contaminated clothing. Rinse SKIN with water [or shower]. P271:Use only outdoors or in a well-ventilated area. P241:Use explosion-proof [electrical/ventilating/lighting/.../] equipment. P331:Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P391:Collect spillage. P242:Use only non-sparking tools. P243:Take precautionary measures against static discharge. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	2
RTECS	SA3320000
Class	3
Merck Index	5193

Citations of This Product

How to Cite Aladdin Scientific Products?

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59. Diqiong Wang, Baokun Qi, Qingqing Xu, Shuang Zhang, Fengying Xie, Yang Li. (2021) Effect of salt ions on an ultrasonically modified soybean lipophilic protein nanoemulsion. INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY, 56 (12): (6719-6731). [PMID:] [10.1111/ijfs.15261]
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Isooctane - for spectroscopy, high purity , CAS No.540-84-1