(±)-1,2,4-Butanetriol - Standard for GC, ≥99.5%(GC) , CAS No.3068-00-6

CAS: 3068-00-6 Cat. No.: B118474 Molecular Weight: 106.12 Beilstein Registry Number: 1733456 EC Number: 221-323-5
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GRADE & PURITY Standard for GC ? GC reference standard — characterized compound for calibrating GC methods. Use to build calibration curves and verify GC quantitation. ≥99.5%(GC)
Synonyms
1,4-Butanetriol | 2-01-00-00596 (Beilstein Handbook Reference) | NSC60197 | NSC-60197 | NK798C370H | CAS-3068-00-6 | Triol 124 | 1,2,4-Butantriol | 1,2,4-BUTANETRIOL | EINECS 221-323-5 | A637710B-C321-4E3F-A354-64FC18733531 | B0687 | 2-Deoxyerythritol | F
Storage
Desiccated,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5ml
B118474-5ml
2
$53.90
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Why this grade

Standard for GC, ≥99.5%(GC) Standard for GC for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Desiccated,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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1, 4-Butanetriol | 2-01-00-00596 (Beilstein Handbook Reference) | NSC60197 | NSC-60197 | NK798C370H | CAS-3068-00-6 | Triol 124 | 1, 2, 4-Butantriol | 1, 2, 4-BUTANETRIOL | EINECS 221-323-5 | A637710B-C321-4E3F-A354-64FC18733531 | B0687 | 2-Deoxyerythritol | F
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Storage
Desiccated, Room temperature
Shipped In
Normal
Grade
Standard for GC
Purity
≥99.5%(GC)
Names and Identifiers
Canonical SmilesC(CO)C(CO)O
IUPAC Namebutane-1,2,4-triol
InChIKeyARXKVVRQIIOZGF-UHFFFAOYSA-N
INCHI1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
Isomeric SMILES C(CO)C(CO)O
WGK Germany 1
RTECS EK7176000
Molecular Weight 106.12
Beilstein 1733456
Reaxy-Rn 1719409
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719409&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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

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





Associated Targets(Human)
THRB Tclin Thyroid hormone receptor beta-1 (7926 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.

4 results found

Lot NumberCertificate TypeDateItem
D2503468Certificate of AnalysisMar 26, 2025 B118474
D2503472Certificate of AnalysisMar 26, 2025 B118474
B1622014Certificate of AnalysisJul 18, 2023 B118474
G2127025Certificate of AnalysisMay 10, 2023 B118474
Chemical and Physical Properties
SensitivityHygroscopic.
Refractive Index1.4738-1.4758
Flash Point(°F)188°(370°F)
Flash Point(°C)188°(370°F)
Boil Point(°C)190-191°C
Melt Point(°C)-20°C
Molecular Weight106.120 g/mol
XLogP3-1.400
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass106.063 Da
Monoisotopic Mass106.063 Da
Topological Polar Surface Area60.700 Ų
Heavy Atom Count7
Formal Charge0
Complexity37.900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Solution Calculators
Reviews

Customer Reviews

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