Isopentyl formate - ≥93% , CAS No.110-45-2

CAS: 110-45-2 Cat. No.: I117534 Summenformel: HCOOCH2CH2CH(CH3)2 Molekulargewicht: 116.16 Beilstein Registry Number: 1739893 EG-Nummer: 203-769-2
Zu bestellen verfügbar
GRADE & PURITY ≥93%
Synonyms
F0054 | Formic Acid Isoamyl Ester | formic acid isopentyl ester | Isoamylformiat | NSC6530 | NSC-6530 | 3-Methyl-1-butanol 1-formate | EINECS 203-769-2 | WLN: VHO2Y1 & 1 | 1-Butanol, 3-methyl-, formate | ISOAMYL FORMATE [FHFI] | Isopentyl methanoate | Q15
Storage
Room temperature
Shipped In
FedEx DG Service
★
Size
Deutschland (EU)
USA*
Price
Qty
25ml
I117534-25ml
—
8 Auf Lager
12,06€
100ml
I117534-100ml
—
9 Auf Lager
24,21€
500ml
I117534-500ml
—
2 Auf Lager
82,35€
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥93% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
F0054 | Formic Acid Isoamyl Ester | formic acid isopentyl ester | Isoamylformiat | NSC6530 | NSC-6530 | 3-Methyl-1-butanol 1-formate | EINECS 203-769-2 | WLN: VHO2Y1 & 1 | 1-Butanol, 3-methyl-, formate | ISOAMYL FORMATE [FHFI] | Isopentyl methanoate | Q15
Spezifikationen & Reinheit
≥93%
Storage
Room temperature
Verschickt in
FedEx DG Service
Reinheit
≥93%
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180669
Kanonisches Lächeln
CC(C)CCOC=O
IUPAC Name
3-methylbutyl formate
InChIKey
XKYICAQFSCFURC-UHFFFAOYSA-N
INCHI
1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3
Isomere SMILES
CC(C)CCOC=O
WGK Deutschland
2
RTECS
NT0185000
UN-Nummer
1109
Verpackungsgruppe
III
Molekulargewicht
116.16
Beilstein
1739893
Reaxy-Rn
1739893
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739893&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 acids and derivatives
KlasseCarboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentCarboxylic acid esters
Alternative Parents Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
External Descriptors Wax monoesters
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

5 results found

Lot NumberCertificate TypeDatumArtikel
D23142255Certificate of AnalysisAug 01, 2022 I117534
D23142324Certificate of AnalysisAug 01, 2022 I117534
I2206709Certificate of AnalysisAug 01, 2022 I117534
I2206710Certificate of AnalysisAug 01, 2022 I117534
I2206711Certificate of AnalysisAug 01, 2022 I117534
Chemische und physikalische Eigenschaften
LöslichkeitSlightly soluble in water, soluble in most organic solvents.
Brechungsindex1.397(lit.)
Flammpunkt (°F)78.8 °F
Flammpunkt (°C)26°C
Siedepunkt (°C)124°C
Molekulargewicht116.160 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass116.084 Da
Monoisotopic Mass116.084 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count8
Formal Charge0
Complexity59.500
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
Citations of This Product
Lösungsrechner
Bewertungen

Kundenbewertungen

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.