1-Heptanol - ≥99% , CAS No.111-70-6

CAS: 111-70-6 Cat. No.: H108211 Molecular Weight: 116.2 Beilstein Registry Number: 1731686 EC Number: 203-897-9

GRADE & PURITY ≥99%

Synonyms

Heptanol | CHEBI:88619 | F0001-0245 | 1-Hept | 1-Heptanol, purum, >=99.0% (GC) | Tox21_201247 | 1-HEPTANOL [MI] | heptanol-1 | Heptyl alcohol, >=97%, FCC, FG | InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H | N-Heptanol-1 [French] | Alcohol C7 | Alcohol C-7

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Synonyms

Heptanol | CHEBI:88619 | F0001-0245 | 1-Hept | 1-Heptanol, purum, >=99.0% (GC) | Tox21_201247 | 1-HEPTANOL [MI] | heptanol-1 | Heptyl alcohol, >=97%, FCC, FG | InChI=1/C7H16O/c1-2-3-4-5-6-7-8/h8H, 2-7H2, 1H | N-Heptanol-1 [French] | Alcohol C7 | Alcohol C-7

Specifications & Purity

≥99%

Storage

Room temperature, Cool

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488180702
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180702
• Canonical Smiles: CCCCCCCO
• IUPAC Name: heptan-1-ol
• InChIKey: BBMCTIGTTCKYKF-UHFFFAOYSA-N
• INCHI: 1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
• Isomeric SMILES: CCCCCCCO
• WGK Germany: 1
• RTECS: MK0350000
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 116.2
• Beilstein: 1731686
• Reaxy-Rn: 1731686
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Saccharomyces cerevisiae (19171 Activities)

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Cutibacterium acnes (887 Activities)

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Tetrahymena pyriformis (68 Activities)

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Lithobates pipiens (29 Activities)

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Bursaphelenchus xylophilus (372 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water 1.7 g/L at 25°C.
• Sensitivity: heat sensitive
• Refractive Index: 1.4224
• Flash Point(°F): 168.8 °F
• Flash Point(°C): 77℃
• Boil Point(°C): 175.8°C
• Melt Point(°C): -34.6°C
• Molecular Weight: 116.200 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 116.12 Da
• Monoisotopic Mass: 116.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 35.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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60. Mengyao Gao, Chen Yan, Na Li, Yun Wei.  (2024)  Electroosmotic coupled with particle-assisted deep eutectic solvent flotation for the enrichment of eugenol from clove.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111326]

61. Yelu Wu, Weiyang Tang, Jian-Liang Zhou, Tian Xie.  (2024)  Fatty Alcohol-Assisted Electro-Driven Liquid Membrane Multi-Stage Extraction Technology for Selective Separation and Purification of 3,4-Dihydroxybenzaldehyde from Salvia miltiorrhiza Bge..  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2024.2333330]

62. Mantang Chen, Linping Shi, Fuwei Xie, Xiaoyu Wang, Cong Nie, Sheng Wang, Kejian Liu, Jingjing Yu, Libin Wan.  (2025)  Flat membrane–based liquid-phase microextraction for the determination of basic and acidic pesticide residues in water samples.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39793448] [10.1016/j.chroma.2025.465659]

63. Ming Yang, Ni Yao, Roman A. Surmenev, Xinxin Zhang, Jianyong Yu, Shichao Zhang, Bin Ding.  (2025)  Hybrid Nanofibrous Membrane with Durable Electret for Anti-Wetting Air Filtration.  MACROMOLECULAR RAPID COMMUNICATIONS,      [PMID:39871458] [10.1002/marc.202401058]

64. Xing Zhang, Guangyi Li, Hailu Yu, Lianqi Xing, Aiqin Wang, Wei Wang, Zhitong Zhao, Ning Li.  (2024)  Integration of bio-JP-10 synthetic route from furfuryl alcohol.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2024.114987]

65. Mai Han, Yujie Zhen, Fangyu Zhang, Anle Zhang, Jiajun Wei, Wei Wang, Zhiwei Zhang, Wenxue Lu, Tao Li, Qingsong Li.  (2024)  Liquid–Liquid Equilibrium for Ternary Systems of Water, Methacrylic Acid, and Alkyl Alcohols: Thermodynamic Analysis and Solvent Comparison.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.3c00621]

66. Qi Qian, Xin Guo, Lingjie Wu, Jiarong Cui, Huiying Gao, Yajun Yang, Hongxing Xu, Zhongxian Lu, Pingyang Zhu.  (2024)  Molecular Characterization of Plant Volatile Compound Interactions with Cnaphalocrocis medinalis Odorant-Binding Proteins.  Plants-Basel,  13  (4): (479).  [PMID:38498446] [10.3390/plants13040479]

67. Dingli Ye, Junqiang Hao, Rongxu Zhang, Yangyang Zhou, Shurong Chen, Weijian Zhang, Lei Zhao, Jiahan Xie, Zhibing Wang.  (2024)  Optimization of ultrasonic-assisted supramolecular solvent microextraction of coumarins from Cortex fraxini using response surface methodology combined with artificial neural network-genetic algorithm.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:38320432] [10.1016/j.chroma.2024.464692]

68. Dehao Meng, Dongbo Zhao, Zhichao Zhao, Xiaoxue Wang, Yi Wu, Yonghui Li, Zhaolin Lv, Qilin Zhong.  (2025)  Revealing key aroma compounds and the potential metabolic pathways in sea buckthorn berries.  FOOD CHEMISTRY,      [PMID:39986073] [10.1016/j.foodchem.2025.143430]

69. Xueli Chen, Haoyue Liu, Cong Li, Yujuan Xu, Baocai Xu.  (2024)  Revealing the characteristic aroma and boundary compositions of five pig breeds based on HS-SPME/GC-O-MS, aroma recombination and omission experiments.  FOOD RESEARCH INTERNATIONAL,      [PMID:38309911] [10.1016/j.foodres.2024.113954]

70. 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]

71. Jipeng Wang, Xinli Tong, Chen Guo, Yahui Wei.  (2024)  The high-entropy oxide-promoted oxidative condensation reaction of biomass-derived furfural with aliphatic alcohol in the presence of O2.  CATALYSIS TODAY,      [PMID:] [10.1016/j.cattod.2024.114923]

72. Mingzhu Zhou, Yiting Lu, Jinyu Yu, Chao Wang, Wei Yu, Liu Shi, Wenjin Wu, Lan Wang, Yu Qiao.  (2025)  Characterization of off-flavor compounds in ready-to-heat roasted catfish after reheating by sensomics approach.  Food Chemistry-X,      [PMID:40831966] [10.1016/j.fochx.2025.102872]

73. He Ma, Houchun Yan, Menghao Du, Yingmin Yu, Qingsong Li.  (2025)  Liquid-Liquid Equilibrium Measurement and Modeling of Methyl 2-Hydroxyisobutyrate, Water, and Different Extractants at 303.2 K.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.5c00317]

74. Yue Wang, Jianing Li, Tingting Zhu, Yiran Li, Jinyu Yang, Tingting Ma, Yulin Fang, Xiangyu Sun.  (2025)  Unveiling sub-regional aroma differences in China's Ningxia region: Characterization of key aroma profiles and chemical foundations via sensomics and RATA.  FOOD CHEMISTRY,      [PMID:41045857] [10.1016/j.foodchem.2025.146557]

75. Junlang Huo, Hao Lin, Yangyang Chen, Tongmei Ma, Jinhui Liang, Yaohong Zhao, Li Du.  (2025)  Dynamic regulation of ionomer/catalyst interface via alcohol coordination engineering: Toward high–efficiency proton and oxygen transport in proton exchange membrane fuel cells.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2025.238453]

76. Fang Shen, Bingfeng Qian, Jianan Zhang, Mingyuan Wu, Jiuyi Liu, Qingyun Wu, Jianjun Yang.  (2025)  Synthesis, Characterization, and Performance Evaluation of Bio-Based Plasticizer for Polyvinyl Chloride Derived from Tartaric Acid.  ChemistrySelect,  10  (35): (e03408).  [PMID:] [10.1002/slct.202503408]

77. Xu-Hui Huang, Yu-Ying Zhang, Ming Zhu, Da-Yong Zhou, Ming Du, Bei-Wei Zhu, Xiu-Ping Dong, Ian Fisk, Lei Qin.  (2020)  The effects of different extraction methods on the aroma fingerprint, recombination and visualization of clam soup.  Food & Function,  12  (4): (1626-1638).  [PMID:33476357] [10.1039/D0FO02615H]

78. Xin Di, Xiaojun Zhao, Xiaoli Guo.  (2020)  Hydrophobic deep eutectic solvent as a green extractant for high-performance liquid chromatographic determination of tetracyclines in water samples.  JOURNAL OF SEPARATION SCIENCE,  43  (15): (3129-3135).  [PMID:32506795] [10.1002/jssc.202000477]

79. 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]

80. Deng Jie, Zheng Jia, Li Xing, Huang Dan, Ye Guangbin, Luo Huibo.  (2025)  Characterization of Qu-aroma of medium–high temperature Daqu from different production areas using sensory evaluation, E-nose, and GC–MS/O analysis.  Bioresources and Bioprocessing,  12  (1): (1-16).  [PMID:40285888] [10.1186/s40643-025-00863-y]

81. Ruoxin Zhang, Hongsheng Lu, Lingyan Wei, Xingyu Lin, Ziteng Yang, Jie Qi, Zheng Zhang.  (2025)  Self-Assembly at Oil–Water Interfaces Driven by Solubility Differences and Polar–Hydrophobic Interactions: An Insight into a Highly Mechanical Performance Gel with Gradients.  LANGMUIR,      [PMID:40244941] [10.1021/acs.langmuir.5c00131]

82. Yaxing Ma, Jincheng Wang, Li Chen, Chuixiu Huang, Zhiliang Chen, Xiantao Shen.  (2025)  Towards citizen science in food chemistry: Nitrite detection in high-fat food by integrating solid-phase extraction and electromembrane extraction on a microfluidic paper-based sensor.  FOOD CHEMISTRY,      [PMID:40345028] [10.1016/j.foodchem.2025.144645]

83. Xiaoying Li, Gang Li, Haijing Wang, Chunsheng Liu, Chunrui Rong, Fuhang Song, Caixia Chen, Junkai Wu.  (2025)  Characterization of volatile flavor profiles in three peach cultivars during postharvest storage at various temperatures using HS-SPME-GC–MS.  Food Chemistry-X,      [PMID:40497035] [10.1016/j.fochx.2025.102554]

84. Yidong Zhou, Zhijian Ke, Jiazhuo Zhang, Wenbin Chang, Yarong Cui, Yimiao Chen, Yirui Huang, Chunli Xia, Wenjia Zhong, Zifa Deng, Dayong Jin.  (2025)  The strategy of transesterification and degradation improved the resistance of Microbacterium sp. S1037 to antiseptic parabens.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40446366] [10.1016/j.jhazmat.2025.138751]

85. Houchun Yan, He Ma, Xuqiang Li, Tao Li, Wenxue Lu, Qingsong Li.  (2025)  Exploration of extracting ethyl lactate from aqueous solution using alkyl alcohols: Combination of experiment and mechanism analysis.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.127928]

86. Yi Yi, Pengxiang Zhang, Yixin Shen, Junhui Tan, Bao-Wen Li.  (2025)  Dispersion Behavior of High-k Perovskite Nanosheets for Ink Formulation and Device Printing.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.5c01058]

87. Kelin Chen, Hui Han, Hongbo Cui, Guijian Guan, Ming-Yong Han.  (2025)  Solvothermal aldol condensation of primary alcohols for the controlled formation of carbonized polymer dots with tunable optical properties and selective sensing.  Nanoscale,      [PMID:41217014] [10.1039/D5NR03770K]

88. Jinglan Wang, Ziqiong Xu, Zhanjun Cheng, Boyi Sun, Xuezhi Gao, Zhandong Wang, Jiuzhong Yang, Beibei Yan, Guanyi Chen.  (2025)  Experimental and kinetic modeling studies on the low-temperature oxidation of n-heptanol in a jet-stirred reactor.  PROGRESS IN REACTION KINETICS AND MECHANISM,  50  (1):   [PMID:] [10.48130/prkm-0025-0024]

89. Yuhua Song, Ru Yan, Rui Dong, Ping Wen, Mingjin Fan.  (2025)  Atomic anchoring and friction-induced graphitization in nitrilotriacetate esters for customizable lubrication.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.129166]

90. Jingyu Shan, Bingyu Tian, Yingying Yao, Mengyao Liu, Gaolu Fan, Weiwei Qi, Ping Wen, Rui Dong, Mingjin Fan.  (2025)  High lubricity induced by structural regulation from green ester lubricants: Ultra-short running-in period and long-term stability.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.128036]

91. Yanyan Cao, Meng Tao, Anan Xu, Zheng Tu, Shanshan Wang, Qinyan Yu, Sixu Li, Zhengquan Liu.  (2025)  Mechanisms of sweetness enhancement by sweet aroma compounds in black tea: More than just cross-modal interactions.  FOOD CHEMISTRY,      [PMID:41455331] [10.1016/j.foodchem.2025.147668]

92. Meiqi Gao, Xinyan Hou, Hongmei Li, Yansen Han, Jianing Wang, Yanqiu Cao.  (2026)  Highly Efficient Mineralization of Typical PPCPs in Medical Wastewater via P25TiO2 Photocatalysis Under Sunlight Irradiation.  MOLECULES,  31  (7): (1163).  [PMID:] [10.3390/molecules31071163]