Hexyl acetate - analytical standard, ≥99.5%(GC) , CAS No.142-92-7

CAS: 142-92-7 Cat. No.: H111063 분자식: C8H16O2 분자량: 144.21 Beilstein Registry Number: 1747138 EC 번호: 205-572-7
주문 가능
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. ≥99.5%(GC)
Synonyms
Hexyl acetate|142-92-7|n-Hexyl acetate|ACETIC ACID, HEXYL ESTER|Hexyl ethanoate|1-Hexyl acetate|Acetic Acid Hexyl Ester|n-Hexyl ethanoate|Hexyl alcohol, acetate|FEMA No. 2565|Hexylester kyseliny octove|NSC 7323|88230-35-7|Acetic acid n-hexyl ester|Hexyl e
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
USA
독일 (EU)*
Price
Qty
1ml
H111063-1ml
5 재고 있음
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US$30.90
5ml
H111063-5ml
5 재고 있음
—
US$108.90
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Why this grade

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

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Storage & shipping

Room temperature Ships FedEx DG Service 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.

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Literature proof

Cited in 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Hexyl acetate was used to study the activity of diamondback moth sex pheromone and larval frass volatiles, as well as green leaf volatiles from cabbage, on the natural enemies of the pest.

Specifications

동의어
Hexyl acetate | 142-92-7 | n-Hexyl acetate | ACETIC ACID, HEXYL ESTER | Hexyl ethanoate | 1-Hexyl acetate | Acetic Acid Hexyl Ester | n-Hexyl ethanoate | Hexyl alcohol, acetate | FEMA No. 2565 | Hexylester kyseliny octove | NSC 7323 | 88230-35-7 | Acetic acid n-hexyl ester | Hexyl e
사양 및 순도
analytical standard, ≥99.5%(GC)
생화학 및 생리적 메커니즘
Hexyl acetate has antimicrobial activity and can be used to improve the safety of minimally processed fruits. Hexyl acetate is a fruity smelling fluid used as flavoring agent or in perfumes. Hexyl acetate is a green leaf volatile from cabbage Brassica ole
보관 조건
Room temperature
배송
FedEx DG Service
등급
분석 표준물질
순수함
≥99.5%(GC)
이름과 식별자
Pubchem Sid528769475
정식 스마일CCCCCCOC(=O)C
IUPAC Namehexyl acetate
InChIKeyAOGQPLXWSUTHQB-UHFFFAOYSA-N
INCHI1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3
이성체 SMILES CCCCCCOC(=O)C
WGK 독일 1
RTECS AI0875000
UN 번호 1993
포장 그룹 I
분자량 144.21
Beilstein 1747138
Reaxy-Rn 1747138
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747138&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 acids and derivatives
분류Carboxylic acids and derivatives
SubclassCarboxylic acid derivatives
Intermediate Tree Nodes Not available
Direct ParentCarboxylic acid esters
Alternative Parents Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
설명This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
External Descriptors Wax monoesters
3D 구조
상호 작용 화학 구조 모델





관련 대상(비인간)
Plutella xylostella (1838 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bursaphelenchus xylophilus (372 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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.

5 results found

Lot NumberCertificate Type날짜항목
I2314065Certificate of AnalysisMar 28, 2025 H111063
I2314066Certificate of AnalysisMar 28, 2025 H111063
K2013026Certificate of AnalysisJun 14, 2024 H111063
G2225031Certificate of AnalysisApr 07, 2024 H111063
K2019042Certificate of AnalysisSep 15, 2022 H111063
화학 및 물리적 특성
굴절률1.409
발화점(°F)131 °F
발화점(°C)43℃
끓는점(°C)169.2°C
녹는점(°C)-80°C
분자량144.210 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass144.115 Da
Monoisotopic Mass144.115 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count10
Formal Charge0
Complexity89.300
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
참고 문헌
1. Yu Mu, Jun Huang, Rongqing Zhou, Suyi Zhang, Hui Qin, Hanlan Tang, Qianglin Pan, Huifang Tang.  (2023)  Characterization of the differences in aroma-active compounds in strong-flavor Baijiu induced by bioaugmented Daqu using metabolomics and sensomics approaches.  FOOD CHEMISTRY,      [PMID:37247603] [10.1016/j.foodchem.2023.136429]
2. Die Hu, Wei Chen, Aiqing Miao, Xiaoyan Qiao, Hongling Xia, Chengying Ma.  (2023)  Analysis of volatile emission of tea (Camellia sinensis) shoots in response to temperature-dependent postharvest treatments.  EUROPEAN JOURNAL OF AGRONOMY,      [PMID:] [10.1016/j.eja.2023.126821]
3. Jing Li, Youyou Yang, Chaohua Tang, Shengnan Yue, Qingyu Zhao, Fadi Li, Junmin Zhang.  (2022)  Changes in lipids and aroma compounds in intramuscular fat from Hu sheep.  FOOD CHEMISTRY,      [PMID:35413762] [10.1016/j.foodchem.2022.132611]
4. Wei Fu, Linxin Xu, Qiwen Yu, Jiajia Fang, Guohua Zhao, Yi Li, Chenying Pan, Hao Dong, Di Wang, Haiyan Ren, Yi Guo, Qingjun Liu, Jun Liu, Xing Chen.  (2022)  Artificial Intelligent Olfactory System for the Diagnosis of Parkinson’s Disease.  ACS Omega,      [PMID:35155895] [10.1021/acsomega.1c05060]
5. Zi Ye, Zhixun Shang, Meiqi Li, Yonghan Qu, Hongjin Long, Junjie Yi.  (2020)  Evaluation of the physiochemical and aromatic qualities of pickled Chinese pepper (Paojiao) and their influence on consumer acceptability by using targeted and untargeted multivariate approaches.  FOOD RESEARCH INTERNATIONAL,      [PMID:33233164] [10.1016/j.foodres.2020.109535]
6. Xuyang Xiong, Liyong Ding, Qingqian Wang, Yongxiu Li, Qingqing Jiang, Juncheng Hu.  (2016)  Synthesis and photocatalytic activity of BiOBr nanosheets with tunable exposed {0 1 0} facets.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2016.02.018]
7. Hao Chen, Yingwu Luo.  (2011)  Facile Synthesis of Nanocapsules and Hollow Nanoparticles Consisting of Fluorinated Polymer Shells by Interfacial RAFT Miniemulsion Polymerization.  MACROMOLECULAR CHEMISTRY AND PHYSICS,  212  (7): (737-743).  [PMID:] [10.1002/macp.201000664]
8. Sanyan Lai, Ning Yi, Shixin Yin, Yipeng Huang, Tianlin Shen, Qianying Dai, Liping Gao, Xiaolan Jiang, Tao Xia.  (2024)  Biochemical characterization of CsCXEs: Carboxylesterase enhances the biosynthesis of green odor volatiles during tea processing.  Horticultural Plant Journal,      [PMID:] [10.1016/j.hpj.2024.08.001]
9. Wenyi Duan, Zhenyu Yao, Chengkui Qiao, Junren Meng, Shihang Sun, Lei Pan, Liang Niu, Guochao Cui, Zhiqiang Wang, Wenfang Zeng.  (2025)  Combined volatile metabolome and transcriptome analysis of 60 peach cultivars provide new insights into the formation of aroma and the identification of associated genes.  Horticultural Plant Journal,      [PMID:] [10.1016/j.hpj.2024.12.005]
10. Xiaoying Li, Chunsheng Liu, Junkai Wu, Kai Su, Xiao Xiao, Libin Zhang, B. Loye Eberhart, Caixia Chen, Fuhang Song.  (2025)  Comprehensive investigation on the dynamic changes of volatile organic compounds in three peach cultivars during fruit development.  FOOD RESEARCH INTERNATIONAL,      [PMID:40022387] [10.1016/j.foodres.2025.115866]
11. Xiaoying Li, Chunsheng Liu, Junkai Wu, Xiao Xiao, Libin Zhang, Caixia Chen, Annette S. Wilson, Fuhang Song.  (2024)  Ester-related volatile compounds reveal the diversity and commonalities of different types of late-ripening peaches.  JOURNAL OF FOOD SCIENCE,  89  (3): (1485-1497).  [PMID:38317483] [10.1111/1750-3841.16943]
12. Mingming Zhao, Zhiheng You, Huayun Chen, Xiao Wang, Yibin Ying, Yixian Wang.  (2024)  Integrated Fruit Ripeness Assessment System Based on an Artificial Olfactory Sensor and Deep Learning.  Foods,  13  (5): (793).  [PMID:38472906] [10.3390/foods13050793]
13. Mingming Zhao, Huizi Lu, Zhiheng You, Huayun Chen, Xiao Wang, Yaqing Zhang, Yixian Wang.  (2024)  Olfactory Visualization Sensing Array Made with CelluMOFs to Predict Fruit Ripeness Using Deep Learning.  ACS Applied Materials & Interfaces,      [PMID:39403818] [10.1021/acsami.4c09402]
14. 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]
15. 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]
16. Mei Chen, Fengyun Tian, Youshudi Xie, Jie Ma, Yanfen Yang, Changli Yang, Xinrong Zhou, Tian Deng, Houhong Xiao, Xue Dong, Dingli Chen, Xinlong Dai, Zhi zhou, Shimao Fang.  (2025)  A comprehensive study of carboxylesterases involved in the degradation of volatile esters in horticultural crops.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2025.122039]
17. Fan Feng, Na Li, Hongcong Song, Aihua Li, Yongsheng Tao.  (2026)  Matrix effects of tartaric acid on the volatile release and aroma perception of fruity esters in wine.  FOOD RESEARCH INTERNATIONAL,      [PMID:] [10.1016/j.foodres.2026.120304]
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