Ethyl heptanoate

Modify Date: 2026-06-30 09:44:37

Ethyl heptanoate Structure
Ethyl heptanoate structure
Common Name Ethyl heptanoate
CAS Number 106-30-9 Molecular Weight 158.238
Density 0.9±0.1 g/cm3 Boiling Point 188.3±3.0 °C at 760 mmHg
Molecular Formula C9H18O2 Melting Point −66 °C(lit.)
MSDS Chinese USA Flash Point 66.1±0.0 °C

 Use of Ethyl heptanoate


Ethyl heptanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name ethyl heptanoate
Synonym More Synonyms

 Ethyl heptanoate Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description Ethyl heptanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 0.9±0.1 g/cm3
Boiling Point 188.3±3.0 °C at 760 mmHg
Melting Point −66 °C(lit.)
Molecular Formula C9H18O2
Molecular Weight 158.238
Flash Point 66.1±0.0 °C
Exact Mass 158.130676
PSA 26.30000
LogP 3.37
Vapour Pressure 0.6±0.4 mmHg at 25°C
Index of Refraction 1.418
InChIKey TVQGDYNRXLTQAP-UHFFFAOYSA-N
SMILES CCCCCCC(=O)OCC

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ2087000
CHEMICAL NAME :
Heptanoic acid, ethyl ester
CAS REGISTRY NUMBER :
106-30-9
BEILSTEIN REFERENCE NO. :
1752311
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H18-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>34640 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - coma Skin and Appendages - hair
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 19,247,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83911 No. of Facilities: 5 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 38 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83911 No. of Facilities: 1486 (estimated) No. of Industries: 10 No. of Occupations: 30 No. of Employees: 15729 (estimated) No. of Female Employees: 3573 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S37/39-S26
RIDADR UN 1993 / PGIII
WGK Germany 1
RTECS MJ2087000
HS Code 29159080

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2915900090
Summary 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

 Articles7

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Effects of droplet crystallization and melting on the aroma release properties of a model oil-in-water emulsion.

J. Agric. Food Chem. 54(5) , 1829-37, (2006)

Aroma compounds partition between the dispersed and the continuous phases in emulsions, and phase transitions in the lipid droplets profoundly affect the position of the equilibrium. In the present st...

Influence of poly (lactide-co-glycolide) type and gamma irradiation on the betamethasone acetate release from the in situ forming systems.

Curr. Drug Deliv. 6(2) , 184-91, (2009)

In situ forming biodegradable polymeric systems were prepared from Poly (DL-lactide-co-glycolide), RG504H (50:50, lactide:glycolide), RG756 (75:25) and mixture of them. They were dissolved in N-methyl...

Identification of electrophysiologically-active compounds for the malaria mosquito, Anopheles gambiae, in human sweat extracts.

Med. Vet. Entomol. 10(3) , 269-76, (1996)

Human sweat samples were chemically fractionated into acid and non-acid components. The most abundant volatile compounds present in the fractions were identified by linked gas chromatography mass spec...

 Ethyl heptanoateBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

Ethyl heptoate
Ethyl heptanoate
Grape oil
Ethylheptanoat
ethyl enanthoate
ethyl n-heptanoate
Oenanthic ether
ethyl oenanthate
Enanthylic ether
Ethyl enanthate
Aether Oenanthieus
Cognac Oil Synthetic
heptanoic acid ethyl ester
Cognac oil
Enanthic Acid Ethyl Ester
EINECS 203-382-9
MFCD00009538
Ethyl n-Heptoate
Aether oenanthicus
Heptanoic acid, ethyl ester
ethyl heptylate
Oil of Grapes

 Ethyl heptanoate | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of ethyl heptanoate?
A: SMILES notation of ethyl heptanoate is CCCCCCC(=O)OCC.
Q: What is the CAS number of ethyl heptanoate?
A: CAS number of ethyl heptanoate is 106-30-9.
Q: What is the polar surface area (PSA) of ethyl heptanoate?
A: Polar surface area (PSA) of ethyl heptanoate is 26.30000.
Q: What are the downstream products of ethyl heptanoate?
A: Related downstream products(CAS) of ethyl heptanoate: 10385-08-7;373-49-9;462-18-0;18229-17-9;2363-86-2;111-71-7;111-70-6;64-17-5;111-14-8;10030-73-6.
Q: What is the boiling point of ethyl heptanoate?
A: Boiling point of ethyl heptanoate is 188.3±3.0 °C at 760 mmHg.
Q: What is the molecular weight of ethyl heptanoate?
A: Molecular weight of ethyl heptanoate is 158.238.
Q: What is the melting point of ethyl heptanoate?
A: Melting point of ethyl heptanoate is −66 °C(lit.).
Q: What are the upstream materials of ethyl heptanoate?
A: Related upstream materials(CAS) of ethyl heptanoate: 64-17-5;111-26-2;201230-82-2;25118-23-4;2351-88-4;623-73-4;109-66-0;15676-66-1;140-88-5;111-14-8.
Q: What are the uses of ethyl heptanoate?
A: Main uses of ethyl heptanoate: Ethyl heptanoate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Q: What is the safety information for ethyl heptanoate?
A: Safety information for ethyl heptanoate: S37/39-S26.

 Ethyl heptanoatefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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