(±)-2-Methyl-1-butanol - ≥98% , CAS No.137-32-6

CAS: 137-32-6 Cat. No.: M106456 Peso molecular: 88.15 Beilstein Registry Number: 1839383 Número EC: 205-289-9

GRADE & PURITY ≥98%

Synonyms

(+/-)-2-METHYL-1-BUTANOL [FHFI] | 2-Methyl butanol-1 | 2-Methyl-Butan-1-Ol | 2-Methylbutan-1-ol | UNII-7VTJ239ASU | DL-2-METHYL-1-BUTANOL, PRACT | 2-Methyl-(2S)-1-Butanol | (RS)-2-methyl-1-butanol | (1)-2-Methylbutan-1-ol | 2-methyl 1-butanol | EN300-1262

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

(+/-)-2-METHYL-1-BUTANOL [FHFI] | 2-Methyl butanol-1 | 2-Methyl-Butan-1-Ol | 2-Methylbutan-1-ol | UNII-7VTJ239ASU | DL-2-METHYL-1-BUTANOL, PRACT | 2-Methyl-(2S)-1-Butanol | (RS)-2-methyl-1-butanol | (1)-2-Methylbutan-1-ol | 2-methyl 1-butanol | EN300-1262

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751723
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751723
• Sonrisas canónicas: CCC(C)CO
• IUPAC Name: 2-methylbutan-1-ol
• InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N
• INCHI: 1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
• Isómeros SMILES: CCC(C)CO
• WGK Alemania: 1
• RTECS: EL5250000
• CAS alternativo: 34713-94-5
• Número ONU: 1105
• Peso molecular: 88.15
• Beilstein: 1839383
• Reaxy-Rn: 1718810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718810&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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: a small molecule

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water. [183 g/L (0 C)] and alcohol.
• Índice de refracción: 1.409-1.411
• Punto de inflamación (°F): 111.2 °F
• Punto de inflamación (°C): 43℃
• Punto de ebullición (°C): 130°C
• Punto de fusión (°C): -70°C
• Peso molecular: 88.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.0888 Da
• Monoisotopic Mass: 88.0888 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 27.100
• 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

Referencias

1. Yunzi Feng, Ziming Xie, Mingtao Huang, Xing Tong, Sha Hou, Hoeseng Tin, Mouming Zhao.  (2023)  Decoding temperature-driven microbial community changes and flavor regulation mechanism during winter fermentation of soy sauce.  FOOD RESEARCH INTERNATIONAL,      [PMID:38225154] [10.1016/j.foodres.2023.113756]

2. Huang Yicheng, Yin Liying, Xu Wenqi, Duan Cuicui, Ma Fumin, Ma Yanli, Li Xiaolei, Li Dan.  (2023)  Antioxidant capacity and flavor compounds of lily rice wine fermented with aroma-producing yeasts.  EUROPEAN FOOD RESEARCH AND TECHNOLOGY,      [PMID:] [10.1007/s00217-023-04423-6]

3. Xiaojie Geng, Qing Li, Xinlei Wang, Lin Zhu, Bowen Wang, Fuping Zheng, Guangnan Wang, Erbao Chen, Yuhang Zhang.  (2023)  Environmental factors induced metabolome shifts during Laobaigan-flavor Baijiu fermentation.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2023.105570]

4. Kun Wang, Ziyan Lin, Jin Dou, Mingguo Jiang, Naikun Shen, Jing Feng.  (2023)  Identification and Surveys of Promoting Plant Growth VOCs from Biocontrol Bacteria Paenibacillus peoriae GXUN15128.  Microbiology Spectrum,  11  (3):   [PMID:36988498] [10.1128/spectrum.04346-22]

5. Boxuan Lou, Yue Xu, Xiaolan Qin, Chang Liu, Shujun Wang, Haikuan Yuan, Xijian Liu, Lijuan Zhang, Jie Lu.  (2023)  Solubility measurement and molecular simulation of unsolvated and solvated estrogen receptor agonist (R)-equol in binary solvents (alcohols + n-heptane) from 273.15 K to 333.15 K.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.121460]

6. Huang Yicheng, Zhong Meiqiao, Mu Siyu, Han Yan, Shi Yu, Li Xiaolei, Li Dan.  (2022)  Assessment of the contributions of Saccharomyces cerevisiae, Hansenula sp. and Pichia kudriavzevii to volatile organic compounds and sensory characteristics of waxy rice wine.  EUROPEAN FOOD RESEARCH AND TECHNOLOGY,  249  (3): (685-697).  [PMID:] [10.1007/s00217-022-04165-x]

7. Chun-Mei Zhang, Ming-Jie Xu, Yuan Gong, Xue-Wei Li, Jin-Jin Huang, Sheng-Fang Zhou, Ke Xing, Sheng Qin.  (2020)  Identification and characterization of nematicidal activity of organic volatiles from a Pseudomonad rhizobacterium.  Rhizosphere,      [PMID:] [10.1016/j.rhisph.2020.100244]

8. Yu Zhang, Tengjie Li, Yuanfang Liu, Xiaoyan Li, Chunmei Zhang, Zhaozhong Feng, Xue Peng, Zongyun Li, Sheng Qin, Ke Xing.  (2019)  Volatile Organic Compounds Produced by Pseudomonas chlororaphis subsp. aureofaciens SPS-41 as Biological Fumigants To Control Ceratocystis fimbriata in Postharvest Sweet Potatoes.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:30860830] [10.1021/acs.jafc.9b00289]

9. Xianli Gao, Junke Zhang, Joe M. Regenstein, Yiyun Yin, Cunshan Zhou.  (2017)  Characterization of taste and aroma compounds in Tianyou, a traditional fermented wheat flour condiment.  FOOD RESEARCH INTERNATIONAL,      [PMID:29579914] [10.1016/j.foodres.2017.12.063]

10. Tang Zhong-Sheng, Zeng Xin-An, Brennan Charles S., Xie Wei-Qi.  (2017)  A Novel Method for Detection of Fusel Oil in Wine by the Use of Headspace Gas Chromatography.  Food Analytical Methods,  10  (10): (3338-3349).  [PMID:] [10.1007/s12161-017-0884-4]

11. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2014)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,      [PMID:25148982] [10.1016/j.foodchem.2014.06.057]

12. Jijuan Zhou, Dianlong Ge, Yue Liu, Yajing Chu, Xiangxue Zheng, Yan Lu, Yannan Chu.  (2024)  Developing Multiple Media Approach to Investigate Reproducible Characteristic VOCs of Lung Cancer Cells.  ANALYTICAL CHEMISTRY,      [PMID:39692311] [10.1021/acs.analchem.4c03894]

13. Jialing Lu, Jia Zheng, Dong Zhao, Yan Xu, Shuang Chen.  (2025)  The Effect of Ethanol on the Compound Thresholds and Aroma Perception in Chinese Baijiu.  MOLECULES,  30  (4): (933).  [PMID:40005243] [10.3390/molecules30040933]

14. Jie Zhong, Xin Yi Bai, Zhuo Zhang, Xiao Gang Li, Jun Zi Zhu.  (2025)  Biocontrol potential of Streptomyces lactacystinicus producing volatile organic compounds against postharvest anthracnose of chili pepper.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2025.113758]

15. Ziming Xie, Dequan Zeng, Jingwen Wang, Mouming Zhao, Yunzi Feng.  (2023)  Dispersive liquid-liquid microextraction coupled with gas chromatography-mass spectrometry (GC-MS) for the determination of soy sauce aroma compounds.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2023.109838]

16. Xuewei Li, Beibei Li, Shurui Cai, Yu Zhang, Mingjie Xu, Chunmei Zhang, Bo Yuan, Ke Xing, Sheng Qin.  (2020)  Identification of Rhizospheric Actinomycete Streptomyces lavendulae SPS-33 and the Inhibitory Effect of its Volatile Organic Compounds against Ceratocystis fimbriata in Postharvest Sweet Potato (Ipomoea batatas (L.) Lam.).  Microorganisms,  8  (3): (319).  [PMID:32106520] [10.3390/microorganisms8030319]

17. Liang Dong, Yingmin Hou, Feng Li, Yongzhe Piao, Xiao Zhang, Xiaoyu Zhang, Cheng Li, Changxin Zhao.  (2014)  Characterization of volatile aroma compounds in different brewing barley cultivars.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  95  (5): (915-921).  [PMID:24862930] [10.1002/jsfa.6759]

18. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao.  (2013)  Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China.  FOOD CHEMISTRY,      [PMID:24128458] [10.1016/j.foodchem.2013.07.072]

19. Zhihui Feng, Yifan Li, Ming Li, Yijun Wang, Liang Zhang, Xiaochun Wan, Xiaogen Yang.  (2019)  Tea aroma formation from six model manufacturing processes.  FOOD CHEMISTRY,      [PMID:30797356] [10.1016/j.foodchem.2019.01.174]

20. Kaili He, Mouming Zhao, Xing Tong, Yunzi Feng.  (2025)  Reveal the flavor quality changes of soy sauce during shelf life through metabolomics.  FOOD CHEMISTRY,      [PMID:41443118] [10.1016/j.foodchem.2025.147650]

21. Huan Zhang, Liuyan Zheng, Kaixuan Zhu, Tianxu Liu, Lexuan Yang, Lijuan Ma, Xin Zhang, Lin Yuan, Liping Du.  (2025)  Impact of Alcohol Content on Alcohol–Ester Interactions in Qingxiangxing Baijiu Through Threshold Analysis.  Foods,  14  (24): (4290).  [PMID:41464996] [10.3390/foods14244290]

22. Xiaolei Li, Wanxin Wang, Yujia Li, Fumin Ma, Cuicui Duan, Dan Li.  (2026)  Deciphering flavor profile and metabolic pathways in black chokeberry Co-fermented by Lactiplantibacillus plantarum and Hansenula sp. via integrated volatilomics and metabolomics.  FOOD RESEARCH INTERNATIONAL,      [PMID:41763756] [10.1016/j.foodres.2026.118371]

23. Baoqing Bai, Shijie Niu, Junnan Li, Bin Feng, Tao Bo, Jinhua Zhang, Ying Zhang, Yukun Yang.  (2026)  Effects of fermentation with different coarse cereals on antioxidant capacity, flavor profiles and sensory characteristics of Huangjiu.  JOURNAL OF CEREAL SCIENCE,      [PMID:] [10.1016/j.jcs.2026.104389]