Isopentyl nitrite - AR, ≥90% , CAS No.110-46-3

CAS: 110-46-3 Cat. No.: I106093 Molecular Weight: 117.15 Beilstein Registry Number: 969510 EC Number: 203-770-8
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GRADE & PURITY AR ? Analytical Reagent grade — high-purity chemicals meeting strict assay limits for lab analysis. Use when accuracy matters and trace impurities could skew results. ≥90%
Synonyms
NCGC00258536-01 | CCRIS 1098 | CHEBI:2691 | MFCD00002057 | 3-methyl-1-nitrosooxybutane | 3-methyl-1-nitrosooxy-butane | AMYL NITRITE [JAN] | I0089 | NCGC00091066-01 | SCHEMBL23785 | Isopentyl alcohol, nitrite | Tox21_111074 | 5N0U5TUC9Z | Amylnitrit | DTX
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice,FedEx DG Service
 ·  off list, applied to all prices below.
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25ml
I106093-25ml
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100ml
I106093-100ml
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500ml
I106093-500ml
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Why this grade

AR, ≥90% AR for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice,FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 43 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Isopentyl nitrite has been used: . as a radical initiator to functionalize multi-walled carbon nanotubes. . as a reagent in the preparation of 4-carboxy-phenyl diazonium salt tetrafluoroborate. . in synthesis of peroxynitrite (ONOO-).

Specifications

Synonyms
NCGC00258536-01 | CCRIS 1098 | CHEBI:2691 | MFCD00002057 | 3-methyl-1-nitrosooxybutane | 3-methyl-1-nitrosooxy-butane | AMYL NITRITE [JAN] | I0089 | NCGC00091066-01 | SCHEMBL23785 | Isopentyl alcohol, nitrite | Tox21_111074 | 5N0U5TUC9Z | Amylnitrit | DTX
Specifications & Purity
AR, ≥90%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice, FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
AR
Purity
≥90%
Names and Identifiers
Canonical SmilesCC(C)CCON=O
IUPAC Name3-methylbutyl nitrite
InChIKeyOWFXIOWLTKNBAP-UHFFFAOYSA-N
INCHI1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
Isomeric SMILES CC(C)CCON=O
WGK Germany 3
RTECS NT0187500
UN Number 1993
Packing Group I
Molecular Weight 117.15
Beilstein 969510
Reaxy-Rn 969510
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969510&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassOrganic nitroso compounds
Intermediate Tree Nodes Not available
Direct ParentOrganic O-nitroso compounds
Alternative Parents Alkyl nitrites  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Organic o-nitroso compound - Alkyl nitrite - Organic nitrite - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as organic o-nitroso compounds. These are organic compounds containing a n-nitroso group -ON=O.
External Descriptors nitrite esters
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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

26 results found

Lot NumberCertificate TypeDateItem
E2609459Certificate of AnalysisMay 22, 2026 I106093
E2609461Certificate of AnalysisMay 22, 2026 I106093
C2618391Certificate of AnalysisMar 21, 2026 I106093
C2618395Certificate of AnalysisMar 21, 2026 I106093
C2618396Certificate of AnalysisMar 21, 2026 I106093
K2503641Certificate of AnalysisNov 06, 2025 I106093
K2503346Certificate of AnalysisNov 06, 2025 I106093
K2503345Certificate of AnalysisNov 06, 2025 I106093
F2530372Certificate of AnalysisJul 09, 2025 I106093
F2527442Certificate of AnalysisJul 09, 2025 I106093
F2530371Certificate of AnalysisJul 09, 2025 I106093
L2424291Certificate of AnalysisDec 27, 2024 I106093
L2424287Certificate of AnalysisDec 27, 2024 I106093
L2424286Certificate of AnalysisDec 27, 2024 I106093
J2410664Certificate of AnalysisOct 21, 2024 I106093
J2410686Certificate of AnalysisOct 21, 2024 I106093
D2416345Certificate of AnalysisApr 19, 2024 I106093
H2317095Certificate of AnalysisAug 28, 2023 I106093
G2315397Certificate of AnalysisJul 24, 2023 I106093
G2315714Certificate of AnalysisJul 22, 2023 I106093
B2306654Certificate of AnalysisFeb 14, 2023 I106093
B2306637Certificate of AnalysisFeb 14, 2023 I106093
B2306652Certificate of AnalysisFeb 14, 2023 I106093
E2220196Certificate of AnalysisJun 01, 2022 I106093
E2220195Certificate of AnalysisJun 01, 2022 I106093
E2220193Certificate of AnalysisJun 01, 2022 I106093

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Chemical and Physical Properties
SolubilityIt is miscible with alcohol, ether and chloroform, but insoluble in water
SensitivityMoisture,heat,light and air sensitive
Refractive Index1.3871
Flash Point(°F)50 °F
Flash Point(°C)10℃
Boil Point(°C)99°C
Molecular Weight117.150 g/mol
XLogP31.700
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass117.079 Da
Monoisotopic Mass117.079 Da
Topological Polar Surface Area38.700 Ų
Heavy Atom Count8
Formal Charge0
Complexity63.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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