Isobutanol - ≥98.5%(GC), acetone(GC)0-0.02% , CAS No.78-83-1

CAS: 78-83-1 Cat. No.: I434187 Formula: C4H10O Molecular Weight: 74.12 Beilstein Registry Number: 1730878 EC Number: 201-148-0
AVAILABLE TO ORDER
GRADE & PURITY ≥98.5%(GC) acetone(GC)0-0.02%
Synonyms
1-Propanol, 2-methyl- | iso-BuOH | 2-Methyl-1-propanol, anhydrous, 99.5% | BIDD:ER0628 | 2-Methyl-1-propanol 10 microg/mL in Methanol | EC 201-148-0 | 2-methyl-l-propanol | 2-Methyl-1-propanol | Q151797 | 2-Methyl-1-propanol, SAJ first grade, >=99.0% | FE
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
Germany (EU)
USA*
Price
Qty
500ml
I434187-500ml
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1 In stock
€34.62
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Why this grade

≥98.5%(GC), acetone(GC)0-0.02% 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.

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Quality documents

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

📚

Literature proof

Cited in 113 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1-Propanol, 2-methyl- | iso-BuOH | 2-Methyl-1-propanol, anhydrous, 99.5% | BIDD:ER0628 | 2-Methyl-1-propanol 10 microg/mL in Methanol | EC 201-148-0 | 2-methyl-l-propanol | 2-Methyl-1-propanol | Q151797 | 2-Methyl-1-propanol, SAJ first grade, >=99.0% | FE
Specifications & Purity
≥98.5%(GC), acetone(GC)0-0.02%
Storage
Room temperature
Shipped In
FedEx DG Service
Purity
≥98.5%(GC)
Names and Identifiers
Pubchem Sid
Canonical Smiles
CC(C)CO
IUPAC Name
2-methylpropan-1-ol
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
INCHI
1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
Isomeric SMILES
CC(C)CO
WGK Germany
1
RTECS
NP9625000
UN Number
1212
Packing Group
III
Molecular Weight
74.12
Beilstein
1730878
Reaxy-Rn
1730878
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730878&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassAlcohols and polyols
Intermediate Tree Nodes Not available
Direct ParentPrimary alcohols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
External Descriptors a small molecule
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Tetrahymena pyriformis (68 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 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.

2 results found

Lot NumberCertificate TypeDateItem
A2614037Certificate of AnalysisJan 24, 2026 I434187
A2614145Certificate of AnalysisJan 22, 2026 I434187
Chemical and Physical Properties
Solubility85g/L
Refractive Index1.396
Flash Point(°C)28℃
Boil Point(°C)108°C
Melt Point(°C)-108°C
Molecular Weight74.120 g/mol
XLogP30.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass74.0732 Da
Monoisotopic Mass74.0732 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count5
Formal Charge0
Complexity17.600
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
Solution Calculators
Reviews

Customer Reviews

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