1-Chloro-2-methyl-2-propanol - ≥98%(GC) , CAS No.558-42-9

CAS: 558-42-9 Cat. No.: C153898 Molecular Weight: 108.57 Beilstein Registry Number: 1697050 EC Number: 209-196-4
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GRADE & PURITY ≥98%(GC)
Synonyms
1-chloro-2-hydroxy-2-methylpropane | DTXSID20204381 | 1-chloro-2-methyl propan-2-ol | EINECS 209-196-4 | 1-chloro-2-methyl-propan-2-ol | 1-Chloro-2-methylpropan-2-ol | AS-31087 | 1-Chloro-2-methyl-2-propanol, 97% | EN300-93821 | JNOZGFXJZQXOSU-UHFFFAOYSA-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
C153898-5ml
10
$9.90
10ml
C153898-10ml
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$9.90
25ml
C153898-25ml
8
$23.90
100ml
C153898-100ml
4
$86.90
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Reaction of 1-chloro-2-methyl-2-propanol on oxygen-containing Ag(110) surfaces has been investigated by synchrotron-based temperature-programmed X-ray photoelectron spectroscopy

Specifications

Synonyms
1-chloro-2-hydroxy-2-methylpropane | DTXSID20204381 | 1-chloro-2-methyl propan-2-ol | EINECS 209-196-4 | 1-chloro-2-methyl-propan-2-ol | 1-Chloro-2-methylpropan-2-ol | AS-31087 | 1-Chloro-2-methyl-2-propanol, 97% | EN300-93821 | JNOZGFXJZQXOSU-UHFFFAOYSA-
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid488184137
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488184137
Canonical SmilesCC(C)(CCl)O
IUPAC Name1-chloro-2-methylpropan-2-ol
InChIKeyJNOZGFXJZQXOSU-UHFFFAOYSA-N
INCHI1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3
Isomeric SMILES CC(C)(CCl)O
WGK Germany 3
UN Number 1987C
Packing Group III
Molecular Weight 108.57
Beilstein 1697050
Reaxy-Rn 1697054
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697054&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.

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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 ParentTertiary alcohols
Alternative Parents Chlorohydrins  Organochlorides  Hydrocarbon derivatives  Alkyl chlorides  
Molecular FrameworkAliphatic acyclic compounds
Substituents Tertiary alcohol - Halohydrin - Chlorohydrin - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

7 results found

Lot NumberCertificate TypeDateItem
I2215044Certificate of AnalysisJun 15, 2026 C153898
I2215045Certificate of AnalysisJun 15, 2026 C153898
I2215046Certificate of AnalysisJun 15, 2026 C153898
L1912037Certificate of AnalysisOct 19, 2023 C153898
C2330513Certificate of AnalysisApr 14, 2023 C153898
C2330514Certificate of AnalysisApr 14, 2023 C153898
L2214846Certificate of AnalysisDec 27, 2022 C153898
Chemical and Physical Properties
Refractive Index1.439
Flash Point(°F)100.4 °F
Flash Point(°C)38°C(lit.)
Boil Point(°C)124-128°C
Molecular Weight108.570 g/mol
XLogP30.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass108.034 Da
Monoisotopic Mass108.034 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count6
Formal Charge0
Complexity42.800
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
Solution Calculators
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