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Ethyl 2-ethylbutyrate

HCID 76326
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2983-38-2
Standard SMILES
CCOC(=O)C(CC)CC
InChIKey
MJGSLNIPTRPYJV-UHFFFAOYSA-N
Molecular formula
C8H16O2
Average molar mass
144.21 g/mol
Monoisotopic mass
144.11502975

Names & identifiers

Preferred name
Ethyl 2-ethylbutyrate
IUPAC
ethyl 2-ethylbutanoate
English name
2-Ethyl-n-butyric acid ethyl ester
Molecular formula
C8H16O2
Molecular weight
144.21

Names & synonyms

Ethyl 2-ethylbutanoateEthyl 2-ethylbutyrate2-Ethyl-n-butyric acid ethyl esterButanoic acid, 2-ethyl-, ethyl ester2-Ethylbutyric Acid Ethyl EsterUNII-9ZB2G5FF449ZB2G5FF44EINECS 221-044-9AI3-24766FEMA NO. 4344MJGSLNIPTRPYJV-UHFFFAOYSA-DTXSID00183963
Show more names
EtzadroxilRARECHEM AL BI 0134thyl 2-EthylbutyrateEthyl2-Ethylbutyrate>2-ethyl-butanoicaciethylester2-Ethylbutanoic acid ethyl ester
ETHYL .ALPHA.-ETHYLBUTYRATEETHYL 2-ETHYLBUTYRATE [FHFI]BUTYRIC ACID, 2-ETHYL-, ETHYL ESTERBUTYRIC ACID, .ALPHA.-ETHYL-, ETHYL ESTERRefChem:138602ETHYL ALPHA-ETHYLBUTYRATEDTXCID40106454BUTYRIC ACID, ALPHA-ETHYL-, ETHYL ESTER

Database identifiers

CAS
2983-38-2
PubChem CID
76326
DTXSID
DTXSID00183963
ChEBI
CHEBI:179937
UNII
9ZB2G5FF44
EC Number
221-044-9
Nikkaji
J150.171B

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
10
Formal charge
0
Complexity
95

Experimental & physicochemical properties

Density0.865 - 0.871
Solubility · 2 items

Practically insoluble or insoluble

Insoluble (in ethanol)

Boiling Point · 2 items

156.00 to 157.00 °C. @ 760.00 mm Hg

132-133 °CC

Refractive Index1.401 - 1.407
Physical DescriptionClear to pale yellow liquid / Fruity tropical aroma
Kovats Retention Index914;914;914;914

Physicochemical properties

Melting point
149 · 149-152°C
Boiling point
152 °C · 152°C
Density
0 · 0,87 g/cm3
refractive index
1.403 to · 1.4030 to 1.4050
FEMA
4344 · 4344 | ETHYL 2-ETHYLBUTYRATE
Flash point
39 °C · 39°C
storage temp.
2 · Storage temp. 2-8°C
form
clear liquid
color
Colorless to Almost colorless
LogP
2.65 · 2.65
Substances Added to Food (formerly EAFUS)
2 · ETHYL 2-ETHYLBUTYRATE
FDA UNII
9 ZB2G5FF44 · 9ZB2G5FF44
Symbol(GHS)
2 · GHS02
Signal word
Warning
Hazard statements
226 · H226
Precautionary statements
210 · P210-P240-P241-P280a-P303+P361+P353-P501a
Risk Statements
10 · 10
Safety Statements
16 · 16
RIDADR
3272 · 3272
HS Code
2915.9 · 2915.90.5050
HazardClass
3 · 3
PackingGroup
III

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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 · 2 items

Chemical: Butanoic acid, 2-ethyl-, ethyl ester

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

Hazard Classes and CategoriesFlam. Liq. 3 (100%);Skin Irrit. 2 (14.3%);Eye Irrit. 2A (14.3%);STOT SE 3 (14.3%)

Regulatory information

Regulatory Information · 2 items

Chemical: Butanoic acid, 2-ethyl-, ethyl ester

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

Safety data

ridadr
3272
hs_code
2915.90.5050
risk_code
10
Signal word
Warning
Symbol(GHS)
GHS02
safety_code
16
hazard_class
3
packing_group
III
Hazard statements
H226
Precautionary statements
P210-P240-P241-P280a-P303+P361+P353-P501a

Chemistry & industry

Pharmacology

Cellular LocationsExtracellular;Membrane

Uses & manufacturing

Use Classification · 2 items

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Applications · 1 item

UsesDPPC (Standard) is the analytical standard of DPPC. This product is intended for research and analytical applications. DPPC (129Y83) is a phosphoglyceride that can be used to prepare lipid monolayers, bilayers, and liposomes. DPPC is the main lipid component of pulmonary surfactant. Dppc-liposome can be effectively used as a delivery vector to induce an immune response against GSL antigen in mice.

Suppliers48 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
BOC Sciences[email protected]
大连金点生物科技有限公司0411-0411-00000000 13644282108 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]

Additional notes

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

Related reactions

15 records
New reaction record
HRID 148272 reaction equation
HRID 148272As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 274291 reaction equation
HRID 274291As reactantuspto-grants-1995_02
HRID 274292 reaction equation
HRID 274292As reactantuspto-grants-1995_02
HRID 274293 reaction equation
HRID 274293As reactantuspto-grants-1995_02
HRID 942442 reaction equation
HRID 942442As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1108363 reaction equation
HRID 1108363As reactantuspto-grants-2000_05
HRID 1150824 reaction equation
HRID 1150824As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1497232 reaction equation
HRID 1497232As reactantuspto-grants-2015_12
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes