Geranyl acetate - ≥95% , CAS No.105-87-3

CAS: 105-87-3 Cat. No.: G107620 Molecular Weight: 196.29 EC Number: 203-341-5

GRADE & PURITY ≥95%

Synonyms

2, 3,7-dimethyl-, acetate,(E)- | 3,7-dimethyl-2-trans,6-octadienyl acetate | CHEBI:88568 | Geranyl acetate A | (2E)-geranyl acetate | 1-Octanol, 3,7-dimethyl-, acetate, tetradehydro deriv. | CAS-105-87-3 | G0028 | MLS002152904 | 3,7-Dimethyloctyl acetate,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 3, 7-dimethyl-, acetate, (E)- | 3, 7-dimethyl-2-trans, 6-octadienyl acetate | CHEBI:88568 | Geranyl acetate A | (2E)-geranyl acetate | 1-Octanol, 3, 7-dimethyl-, acetate, tetradehydro deriv. | CAS-105-87-3 | G0028 | MLS002152904 | 3, 7-Dimethyloctyl acetate,

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504760583
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760583
• Canonical Smiles: CC(=CCCC(=CCOC(=O)C)C)C
• IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] acetate
• InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N
• INCHI: 1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
• Isomeric SMILES: CC(=CCC/C(=C/COC(=O)C)/C)C
• WGK Germany: 1
• RTECS: RG5920000
• Molecular Weight: 196.29
• Reaxy-Rn: 8406666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8406666&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohol esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohol esters
• Alternative Parents: Acyclic monoterpenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol ester - Monoterpenoid - Acyclic monoterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
• External Descriptors: Wax monoesters

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(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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

Lymphoblastoid cell (5959 Activities)

Explore this target

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Tetranychus urticae (2600 Activities)

Explore this target

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

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

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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

Leptinotarsa decemlineata (1161 Activities)

Explore this target

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

Tribolium castaneum (596 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix in water.
• Refractive Index: 1.461
• Flash Point(°F): 219.2 °F
• Flash Point(°C): 104 °C
• Boil Point(°C): 138°C
• Molecular Weight: 196.290 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 196.146 Da
• Monoisotopic Mass: 196.146 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Jianjun Cheng, Jiawei Gui, Xiaoming Yao, Hong Zhao, Yujie Zhou, Yongjun Du.  (2023)  Functional Identification of Olfactory Receptors of Cnaphalocrocis medinalis (Lepidoptera: Crambidae) for Plant Odor.  Insects,  14  (12): (930).  [PMID:38132603] [10.3390/insects14120930]

2. Yun-Feng Ma, Lang-Lang Gong, Meng-Qi Zhang, Xuan-Zheng Liu, Huan Guo, J. Joe Hull, Gui-Jun Long, Hong Wang, Youssef Dewer, Fan Zhang, Ming He, Peng He.  (2023)  Two Antenna-Enriched Carboxylesterases Mediate Olfactory Responses and Degradation of Ester Volatiles in the German Cockroach Blattella germanica.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36920281] [10.1021/acs.jafc.2c08488]

3. Yingjie Fu, Yipeng Zhang, Shitong Zeng, Liwen Luo, Hui Xi, Peng Li, Dingzhong Wang, Tougen Liao, Jiajia Chen, Shihao Sun, Jianping Xie.  (2021)  The effect of long-chain alkanes on flavour release and olfactory characteristics of rose essential oil.  FLAVOUR AND FRAGRANCE JOURNAL,  37  (1): (72-80).  [PMID:] [10.1002/ffj.3681]

4. Mei-Mei Wang, Gui-Jun Long, Huan Guo, Xuan-Zheng Liu, Hong Wang, Youssef Dewer, Zhao-Qun Li, Kun Liu, Qiu-Liang Zhang, Yun-Feng Ma, Peng He, Ming He.  (2021)  Two carboxylesterase genes in Plutella xylostella associated with sex pheromones and plant volatiles degradation.  PEST MANAGEMENT SCIENCE,  77  (6): (2737-2746).  [PMID:33527628] [10.1002/ps.6302]

5. Qi Lin, Cheng Peng, Kunpeng Yu, Yanling Lin, Yongquan Xu, Lijun Li, Hui Ni, Feng Chen.  (2024)  The mining of thermostable β-glucosidase for tea aroma enhancement under brewing conditions.  FOOD CHEMISTRY,      [PMID:39089040] [10.1016/j.foodchem.2024.140624]

6. Jiuying Li, Yinghui Zhu, Lanlan Sun, Hongle Xu, Wangcang Su, Fei Xue, Chuantao Lu, Wenwei Tang, Renhai Wu.  (2024)  The Mitigating Effects of Perilla Leaf Essential Oil on the Phytotoxicity of Fenoxaprop-P-Ethyl in Rice Seedlings.  Plants-Basel,  13  (20): (2946).  [PMID:39458893] [10.3390/plants13202946]

7. Kefa Hu, Zhipeng Qi, Xiaode Huang, Lei Wang, Xiaomeng Zhang, Shaoheng Tang.  (2026)  De novo biosynthesis of lavandulol and lavandulyl acetate in Escherichia coli.  JOURNAL OF BIOTECHNOLOGY,      [PMID:41619942] [10.1016/j.jbiotec.2026.01.014]