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Isooctane - ACS,≥99.0%, high purity , CAS No.540-84-1

121 Citations
Item Number
I113065
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I113065-500ml
500ml
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$49.90
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Basic Description

Synonyms2,2,4-Trimethylpentane | Isooctane | 540-84-1 | Pentane, 2,2,4-trimethyl- | Isobutyltrimethylmethane | ISO-OCTANE | 2,4,4-Trimethylpentane | i-octane | (CH3)2CHCH2C(CH3)3 | Isooctane Blank | QAB8F5669O | DTXSID7024370 | CHEBI:62805 | NSC-39117 | MFCD00008943 | HSDB 5682 | EINECS 208-759
Specifications & PurityACS, ≥99%
Biochemical and Physiological MechanismsIsooctane 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 InNormal
GradeACS
Product Description

A hydrocarbon isomer of octane.

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

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.

4 results found

Lot NumberCertificate TypeDateItem
I2404015Certificate of AnalysisSep 12, 2024 I113065
H2407052Certificate of AnalysisAug 08, 2024 I113065
B24231151Certificate of AnalysisMar 13, 2024 I113065
C2323726Certificate of AnalysisMar 28, 2023 I113065

Chemical and Physical Properties

Refractive Index1.39157
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

Related Documents

 SDS

 Specification Sheet

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58. Xiaofei Li, Xiao Wang, Yukun Yuan, Mingyuan Wu, Qingyun Wu, Jiuyi Liu, Jianjun Yang, Jianan Zhang.  (2021)  Sprayable, durable, and superhydrophobic coating of silica particle brushes based on octadecyl bonding and polymer grafting via surface-initiated ATRP for efficient oil/water separation.  EUROPEAN POLYMER JOURNAL,  159  (110729).  [PMID:]
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67. Jianfeng Li, Wei Cao, Jinjin Li, Ming Ma.  (2021)  Fluorination to enhance superlubricity performance between self-assembled monolayer and graphite in water.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,  596  (44).  [PMID:33826969]
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80. Yawei Huang, Liujun Pei, Xiaomin Gu, Jiping Wang.  (2020)  Study on the Oxidation Products of Hemp Seed Oil and its Application in Cosmetics.  TENSIDE SURFACTANTS DETERGENTS,  57  (3): (230-236).  [PMID:]
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84. Sha Cong, Wenjiang Dong, Jianping Zhao, Rongsuo Hu, Yuzhou Long, Xiaoxing Chi.  (2020)  Characterization of the Lipid Oxidation Process of Robusta Green Coffee Beans and Shelf Life Prediction during Accelerated Storage.  MOLECULES,  25  (5): (1157).  [PMID:32150816]
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86. Fei Peng, Ying Zhao, Fang-Zhou Li, Xiao-Yang Ou, Ying-Jie Zeng, Min-Hua Zong, Wen-Yong Lou.  (2020)  Highly enantioselective resolution of racemic 1-phenyl-1,2-ethanediol to (S)-1-phenyl-1,2-ethanediol by Kurthia gibsonii SC0312 in a biphasic system.  JOURNAL OF BIOTECHNOLOGY,  308  (21).  [PMID:31758968]
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90. Yu-Ping Zhang, Pan-Pan Li, Peng-Fei Liu, Wan-Qing Zhang, Ji-Chao Wang, Cheng-Xing Cui, Xiang-Jun Li, Ling-Bo Qu.  (2019)  Fast and Simple Fabrication of Superhydrophobic Coating by Polymer Induced Phase Separation.  Nanomaterials,  9  (3): (411).  [PMID:30862033]
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93. Zhigao Zhu, Zheyu Li, Lingling Zhong, Ruijun Zhang, Fuyi Cui, Wei Wang.  (2019)  Dual-biomimetic superwetting silica nanofibrous membrane for oily water purification.  JOURNAL OF MEMBRANE SCIENCE,  572  (73).  [PMID:]
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104. Yi-Jun Liang, Fengguo Fan, Ming Ma, Jianfei Sun, Jun Chen, Yu Zhang, Ning Gu.  (2017)  Size-dependent electromagnetic properties and the related simulations of Fe3O4 nanoparticles made by microwave-assisted thermal decomposition.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,  530  (191).  [PMID:]
105. Qiang Xia, Liping Wang, Wenjuan Yu, Yunfei Li.  (2017)  Investigating the influence of selected texture-improved pretreatment techniques on storage stability of wholegrain brown rice: Involvement of processing-induced mineral changes with lipid degradation.  FOOD RESEARCH INTERNATIONAL,  99  (510).  [PMID:28784512]
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107. Wang Min-Qiang, Ye Cui, Bao Shu-Juan, Xu Mao-Wen.  (2017)  Controlled synthesis of Mn3(PO4)2 hollow spheres as biomimetic enzymes for selective detection of superoxide anions released by living cells.  MICROCHIMICA ACTA,  184  (4): (1177-1184).  [PMID:]
108. Erjiang Hu, Hongzhen Tian, Xinyi Zhang, Xiaotian Li, Zuohua Huang.  (2017)  Explosion characteristics of n-butanol/iso-octane-air mixtures.  FUEL,  188  (90).  [PMID:]
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