Isohexanol - ≥97%(GC) , CAS No.626-89-1

CAS: 626-89-1 Cat. No.: I136441 Peso molecular: 102.18 Beilstein Registry Number: 1411 Número EC: 210-969-3
Disponible para pedir
GRADE & PURITY ≥97%(GC)
Synonyms
Isohexyl alcohol | DTXSID0044313 | M0775 | UNII-X796XFP7D4 | SCHEMBL23739 | 4-METHYL-1-PENTANOL | HY-W007511 | Isohexanol | F20439 | A848895 | BCP06801 | MFCD00002962 | CAS-626-89-1 | EINECS 210-969-3 | FT-0612065 | SY016761 | 1-Pentanol, 4-methyl- | Tox2
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
I136441-1ml
1
24,90US$
5ml
I136441-5ml
8
61,90US$
25ml
I136441-25ml
3
208,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

4-Methyl-1-pentanol may have antimicrobial effects.
May have antimicrobial effects

Specifications

Sinónimos
Isohexyl alcohol | DTXSID0044313 | M0775 | UNII-X796XFP7D4 | SCHEMBL23739 | 4-METHYL-1-PENTANOL | HY-W007511 | Isohexanol | F20439 | A848895 | BCP06801 | MFCD00002962 | CAS-626-89-1 | EINECS 210-969-3 | FT-0612065 | SY016761 | 1-Pentanol, 4-methyl- | Tox2
Especificaciones y pureza
≥97%(GC)
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥97%(GC)
Nombres e identificadores
Pubchem Sid504752298
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752298
Sonrisas canónicasCC(C)CCCO
IUPAC Name4-methylpentan-1-ol
InChIKeyPCWGTDULNUVNBN-UHFFFAOYSA-N
INCHI1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3
Isómeros SMILES CC(C)CCCO
WGK Alemania 3
RTECS NR3020000
Número ONU 1987
Grupo de embalaje III
Peso molecular 102.18
Beilstein 1411
Reaxy-Rn 1731303
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731303&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 oxygen compounds
ClaseOrganooxygen 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

8 results found

Lot NumberCertificate TypeFechaArticulo
L2031268Certificate of AnalysisApr 15, 2026 I136441
I2219259Certificate of AnalysisApr 03, 2026 I136441
I2219260Certificate of AnalysisApr 03, 2026 I136441
I2219261Certificate of AnalysisApr 03, 2026 I136441
L2102607Certificate of AnalysisSep 19, 2023 I136441
L2102608Certificate of AnalysisSep 19, 2023 I136441
I1903182Certificate of AnalysisApr 13, 2023 I136441
L2031267Certificate of AnalysisOct 21, 2022 I136441
Propiedades químicas y físicas
Índice de refracción1.42
Punto de inflamación (°F)134.6 °F
Punto de inflamación (°C)57°C(lit.)
Punto de ebullición (°C)160-165°C
Peso molecular102.170 g/mol
XLogP31.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass102.104 Da
Monoisotopic Mass102.104 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count7
Formal Charge0
Complexity33.200
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
Referencias
1. Siyu Xue, Naihui Dong, Kexin Xiong, Hui Guo, Yiwei Dai, Huipeng Liang, Yingxi Chen, Xinping Lin, Beiwei Zhu, Sufang Zhang.  (2023)  The Screening and Isolation of Ethyl-Carbamate-Degrading Strains from Fermented Grains and Their Application in the Degradation of Ethyl Carbamate in Chinese Baijiu.  Foods,  12  (15): (2843).  [PMID:37569112] [10.3390/foods12152843]
2. Yuxiang Zhang, Feilong Chen, Pandi Xu, Hao Ren, Hong Guo, Yahong Yuan, Jianping Wei, Tianli Yue.  (2025)  Aroma modulation of pomegranate wine by non-Saccharomyces yeast: Insights from GC-IMS, GC-MS, and multivariate statistical analysis.  Journal of Agriculture and Food Research,      [PMID:] [10.1016/j.jafr.2025.102391]
3. Yuening Li, Huipeng Liang, Yuzheng Wu, Xinping Lin, Yiwei Dai, Chaofan Ji.  (2025)  Microbial interactions and sequential inoculation of Metschnikowia koreensis and Saccharomyces cerevisiae shape cider flavor development.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.108196]
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