3-Methyl-1-pentanol - ≥99%(GC) , CAS No.589-35-5

CAS: 589-35-5 Cat. No.: M158751 Molecular Weight: 102.18 EC Number: 209-644-9

GRADE & PURITY ≥99%(GC)

Synonyms

(DL)-3-METHYLPENTYL ALCOHOL | 3-Methyl-(.+/-.)-1-Pentanol | AI3-38563 | Q3278324 | EINECS 209-644-9 | 3-methyl pentan-1-ol | MFCD00002937 | EN300-140256 | SB83830 | 2-Ethyl-4-butanol | D91364 | 3-Methyl-1-pentanol, >=99%, FG | 3-METHYL-1-PENTANOL | AKOS00

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

3-Methyl-1-pentanol is a part of the fragrance structural group of branched chain saturated alcohols.
3-Methyl-1-pentanol ihas been used to study the headspace solid-phase dynamic extraction. This was coupled to gas chromatography–mass spectrometry (HS-SPDE-GC/MS) for the trace determination of polar volatile organic compounds (PVOC) from aqueous matrices.

Specifications

Synonyms

(DL)-3-METHYLPENTYL ALCOHOL | 3-Methyl-(.+/-.)-1-Pentanol | AI3-38563 | Q3278324 | EINECS 209-644-9 | 3-methyl pentan-1-ol | MFCD00002937 | EN300-140256 | SB83830 | 2-Ethyl-4-butanol | D91364 | 3-Methyl-1-pentanol, >=99%, FG | 3-METHYL-1-PENTANOL | AKOS00

Specifications & Purity

≥99%(GC)

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 508809022
• Canonical Smiles: CCC(C)CCO
• IUPAC Name: 3-methylpentan-1-ol
• InChIKey: IWTBVKIGCDZRPL-UHFFFAOYSA-N
• INCHI: 1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
• Isomeric SMILES: CCC(C)CCO
• WGK Germany: 2
• Molecular Weight: 102.18
• Reaxy-Rn: 1718979
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718979&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Description: This 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: Fatty alcohols

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.418
• Flash Point(°F): 136 °F
• Flash Point(°C): 58℃
• Boil Point(°C): 151-152°C
• Molecular Weight: 102.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 102.104 Da
• Monoisotopic Mass: 102.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 35.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yimeng Ren, Longzhu Zhou, Chaohua Tang, Jing Li, Yujie Shi, Qingyu Zhao, Junmin Zhang, Yueyu Bai.  (2025)  Characterization of lipid distribution and volatile profile in high-marbling beef of Jiaxian Red cattle.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.107374]

2. Ruirui Li, Dongyue Yang, Zhiyu Li, Xiaohong Tang, Ke Zhong, Yan Ding, Xiaomei Han, Xueqiang Guan, Yuxia Sun.  (2025)  The effect of stem contact fermentation on the quality of Cabernet Sauvignon and Merlot wines from Yantai, China.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.105872]