Ethyl 2-methylpentanoate

HCID 62902
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
39255-32-8
Standard SMILES
CCCC(C)C(=O)OCC
InChIKey
HZPKNSYIDSNZKW-UHFFFAOYSA-N
Molecular formula
C8H16O2
Average molar mass
144.21 g/mol
Monoisotopic mass
144.11502975

Names & identifiers

Preferred name
Ethyl 2-methylpentanoate
IUPAC
ethyl 2-methylpentanoate
English name
Ethyl 2-methylpentanoate
Molecular formula
C8H16O2
Molecular weight
144.21

Names & synonyms

Ethyl 2-methylpentanoate39255-32-8Ethyl 2-methylvaleratePentanoic acid, 2-methyl-, ethyl esterMelon valerateEthyl alpha-methylvalerateFEMA No. 3488Ethyl .alpha.-methylvalerateDTXSID7047198EINECS 254-384-1405SN8638DAI3-33618
Show more names
2-methyl-pentanoicaciethylesterETHYL 2-METHYL PENTANOATE (MANZANATE)MANZANATEFEMA 3488FEMA NUMBER 3488MANZANATE, QUESTRARECHEM AL BI 0135manzanate (Givaudan)
EC 254-384-1DTXCID5027198HZPKNSYIDSNZKW-UHFFFAOYSA-ETHYL 2-METHYLPENTANOATE [FCC]ETHYL 2-METHYLPENTANOATE [FHFI]RefChem:594483(+-)-ETHYL 2-METHYLPENTANOATEETHYL 2-METHYLPENTANOATE, (+-)-

Database identifiers

CAS
39255-32-8
PubChem CID
62902
DTXSID
DTXSID7047198
ChEMBL
CHEMBL3186172
ChEBI
CHEBI:179947
UNII
405SN8638D
EC Number
254-384-1
Nikkaji
J101.336J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
10

Experimental & physicochemical properties

Density0.859-0.865
Solubility(in ethanol)
Boiling Point153 °C
Refractive Index1.401-1.404
Physical Description · 2 items

CBI; Dry Powder; Liquid; Liquid

colourless to pale yellow liquid

Kovats Retention Index · 3 items

923；937；917；917；917；919.4

936；941；940；941

1152；1141；1141

Physicochemical properties

Boiling point
153 · 153-152 °C (lit.)
Density
0.864 g/mL · 0.864 g/mL at 25 °C (lit.)
vapor pressure
7.56 hPa · 7.56hPa at 20℃
refractive index
20 · n20/D 1.403(lit.)
FEMA
3488 · 3488 | ETHYL 2-METHYLPENTANOATE
FLAVIS Number
9.526 · 09.526 | Ethyl 2-methylvalerate

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1861 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)

Regulatory information

Regulatory Information · 4 items

Chemical: Pentanoic acid, 2-methyl-, ethyl ester

Pentanoic acid, 2-methyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 2-methyl-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10528

Pentanoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
ridadr
UN 3272 3/PG 3
hs_code
29189900
risk_code
10

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular；Membrane

Uses & manufacturing

U.S. Production2023: 8,500,000 - <10,000,000 lb；2022: 8,500,000 - <10,000,000 lb；2021: 8,500,000 - <10,000,000 lb；2020: 8,500,000 - <10,000,000 lb
Consumer UsesOther；Fragrance
Industry UsesFragrance；Stabilizing agent
Household ProductsInformation on 67 consumer products that contain Ethyl 2-Methylvalerate in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home；• Personal Care
Use Classification · 3 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 items

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing；Plastics Material and Resin Manufacturing

Pentanoic acid, 2-methyl-, ethyl ester: ACTIVE

Applications

Usesflavors and fragrances

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
巨野众悦香料有限公司0530-8599699 13701896116 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: Ethyl 2-methylpentanoate is a fatty acid ester.

Related reactions

1 records
New reaction record

Compound notes

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