ethyl butanoate

Modify Date: 2026-07-01 07:25:38

ethyl butanoate structure	Common Name	ethyl butanoate
	CAS Number	105-54-4	Molecular Weight	116.158
	Density	0.9±0.1 g/cm3	Boiling Point	122.4±3.0 °C at 760 mmHg
	Molecular Formula	C₆H₁₂O₂	Melting Point	-93.3 °C
	MSDS	Chinese USA	Flash Point	19.4±0.0 °C
	Symbol	GHS02, GHS07	Signal Word	Warning

Summary: Ethyl butyrate, also known as ethyl butanoate, CAS number 105-54-4, has a molecular formula of C6H12O2 and a molecular weight of 116.158. It is a colorless liquid with a fruity aroma, with a melting point of -93.3°C and a boiling point of 122.4±3.0°C, and a density of 0.9±0.1g/cm3. It is widely used in food, beverage, wine, and tobacco flavoring, as well as a solvent and fragrance. For research-use only, not for medical or clinical usage.

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

Name	Ethyl butyrate
Synonym	More Synonyms

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	122.4±3.0 °C at 760 mmHg
Melting Point	-93.3 °C
Molecular Formula	C₆H₁₂O₂
Molecular Weight	116.158
Flash Point	19.4±0.0 °C
Exact Mass	116.083733
PSA	26.30000
LogP	1.77
Vapour density	4 (vs air)
Vapour Pressure	13.9±0.2 mmHg at 25°C
Index of Refraction	1.398
InChIKey	OBNCKNCVKJNDBV-UHFFFAOYSA-N
SMILES	CCCC(=O)OCC
Stability	Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases.
Water Solubility	practically insoluble

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

ethyl butanoate MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ET1660000

CHEMICAL NAME :: Butyric acid, ethyl ester

CAS REGISTRY NUMBER :: 105-54-4

BEILSTEIN REFERENCE NO. :: 0506331

LAST UPDATED :: 199712

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C6-H12-O2

MOLECULAR WEIGHT :: 116.18

WISWESSER LINE NOTATION :: 3VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,719,1974 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 13 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - coma

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 :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 5228 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >2 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: 12,719,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83190 No. of Facilities: 126 (estimated) No. of Industries: 5 No. of Occupations: 29 No. of Employees: 5043 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83190 No. of Facilities: 4209 (estimated) No. of Industries: 30 No. of Occupations: 45 No. of Employees: 33645 (estimated) No. of Female Employees: 10782 (estimated)

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

Symbol	GHS02, GHS07
Signal Word	Warning
Hazard Statements	H226-H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi:Irritant
Risk Phrases	R10;R36/37/38
Safety Phrases	S16-S26-S36
RIDADR	UN 1180 3/PG 3
WGK Germany	1
RTECS	ET1660000
Packaging Group	III
Hazard Class	3
HS Code	2915600000

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

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:2969-81-5 Ethyl 4-bromobu... CAS#:133-13-1 Diethyl ethylma... CAS#:10544-63-5 Ethyl 2-butenoate CAS#:64-17-5 Ethanol
CAS#:201230-82-2 carbon monoxide CAS#:109-73-9 n-butylamine CAS#:105-45-3 Methyl acetoacetate CAS#:123-72-8 Butyraldehyde
CAS#:623-70-1 Ethyl crotonate CAS#:107-92-6 Butyric Acid
DownStream 10
CAS#:10264-14-9 Butanamide,N-(p... CAS#:3153-36-4 Ethyl 4-chlorob... CAS#:7425-45-8 Ethyl-2-chloro-... CAS#:7425-48-1 Ethyl-3-chloro-...
CAS#:5445-24-9 Cyclohexanol, 1... CAS#:34171-37-4 5-ethyl-2-thiouracil CAS#:3249-68-1 Ethyl 3-oxohexanoate CAS#:109-74-0 BUTYRONITRILE
CAS#:541-35-5 Butanamide CAS#:54509-73-8 ethene

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

HS Code	2915600000
Summary	2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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

Combined effects of nutrients and temperature on the production of fermentative aromas by Saccharomyces cerevisiae during wine fermentation.

Appl. Microbiol. Biotechnol. 99(5) , 2291-304, (2015)

Volatile compounds produced by yeast during fermentation greatly influence the organoleptic qualities of wine. We developed a model to predict the combined effects of initial nitrogen and phytosterol ...

Olfactometry Profiles and Quantitation of Volatile Sulfur Compounds of Swiss Tilsit Cheeses.

J. Agric. Food Chem. 63 , 7511-21, (2015)

To establish the odor profiles of three differently fabricated commercial Swiss Tilsit cheeses, analyses were conducted using headspace solid-phase microextraction gas chromatography-mass spectrometry...

How do esters and dimethyl sulphide concentrations affect fruity aroma perception of red wine? Demonstration by dynamic sensory profile evaluation.

Food Chem. 194 , 196-200, (2015)

Our study focused on variations in wine aroma perception and molecular composition during tasting over a period of 30min. In parallel, dynamic analytical and sensory methods were applied to study chan...

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

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

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

MFCD00009394

EINECS 203-306-4

Butanoic acid, ethyl ester

ethyl n-butanoate

UNII-UFD2LZ005D

butyric acid ethyl ester

Butanoic acid ethyl ester

Butyric acid, ethyl ester

Ethyl N-butyrate

UN 1180

Ethyl butyrate

ethyl butanoate

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

Q: What is the molecular formula of Ethyl butyrate?

A: Molecular formula of Ethyl butyrate is C6H12O2.

Q: What is the LogP of Ethyl butyrate?

A: LogP of Ethyl butyrate is 1.77.

Q: What is the safety information for Ethyl butyrate?

A: Safety information for Ethyl butyrate: S16-S26-S36.

Q: What is the English name of Ethyl butyrate?

A: The English name of Ethyl butyrate is Ethyl butyrate.

Q: What is the SMILES notation of Ethyl butyrate?

A: SMILES notation of Ethyl butyrate is CCCC(=O)OCC.

Q: What English synonyms does Ethyl butyrate have?

A: English synonyms of Ethyl butyrate: MFCD00009394, EINECS 203-306-4, Butanoic acid, ethyl ester, ethyl n-butanoate, UNII-UFD2LZ005D, butyric acid ethyl ester, Butanoic acid ethyl ester, Butyric acid, ethyl ester, Ethyl N-butyrate, UN 1180, Ethyl butyrate, ethyl butanoate.

Q: What are the upstream materials of Ethyl butyrate?

A: Related upstream materials(CAS) of Ethyl butyrate: 2969-81-5;133-13-1;10544-63-5;64-17-5;201230-82-2;109-73-9;105-45-3;123-72-8;623-70-1;107-92-6.

Q: What is the molecular weight of Ethyl butyrate?

A: Molecular weight of Ethyl butyrate is 116.158.

Q: What is the InChIKey of Ethyl butyrate?

A: InChIKey of Ethyl butyrate is OBNCKNCVKJNDBV-UHFFFAOYSA-N.

Q: What are the downstream products of Ethyl butyrate?

A: Related downstream products(CAS) of Ethyl butyrate: 10264-14-9;3153-36-4;7425-45-8;7425-48-1;5445-24-9;34171-37-4;3249-68-1;109-74-0;541-35-5;54509-73-8.

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.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: ethyl butanoate
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Ethyl butyrate
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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