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Ethyl 2-methylidenebutanoate

HCID 291416
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3070-65-3
Standard SMILES
C=C(CC)C(=O)OCC
InChIKey
OUGJKAQEYOUGKG-UHFFFAOYSA-N
Molecular formula
C7H12O2
Average molar mass
128.17 g/mol
Monoisotopic mass
128.08372962

Names & identifiers

Preferred name
Ethyl 2-methylidenebutanoate
IUPAC
ethyl 2-methylidenebutanoate
English name
ETHYL 2-ETHYLACRYLATE 96
Molecular formula
C7H12O2
Molecular weight
128.17

Names & synonyms

ethyl 2-methylidenebutanoateRefChem:594480631-154-2Ethyl 2-ethylacrylate3070-65-3ethyl 2-methylenebutanoateButanoic acid, 2-methylene-, ethyl esterMFCD05664266Ethyl 2-methylenebutyrateButanoic acid,2-methylene-, ethyl esterethyl ethylacrylateETHYL 2-ETHYLACRYLATE 96
Show more names
Ethyl ethacrylateETHYL 2-ETHYLACRYLATE 96
Ethyl2-ethylacrylateNSC156618Ethyl 2-ethylpropenoateEthyl 2-ethyl-2-propenoateEthyl 2-ethylacrylate 96%SCHEMBL35720Ethyl 2-ethylacrylate, 96%SCHEMBL8580014

Database identifiers

CAS
3070-65-3
PubChem CID
291416
DTXSID
DTXSID10303099
EC Number
631-154-2
Nikkaji
J815.814B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
9
Formal charge
0
Complexity
116

Physicochemical properties

Boiling point
139 · 139-145 °C (lit.)
Density
0.902 g/mL · 0.902 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.421(lit.)
Flash point
89 °F · 89 °F
storage temp.
2 · 2-8°C
InChI
InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h3-5H2,1-2H3
InChIKey
OUGJKAQEYOUGKG-UHFFFAOYSA-N
SMILES
C(OCC)(=O)C(=C)CC
UNSPSC Code
12162002 · 12162002
NACRES
23 · NA.23
Symbol(GHS)
2 · GHS02,GHS07,GHS09
Signal word
Warning
Hazard statements
226 · H226-H315-H319-H335-H411
Precautionary statements
210 · P210-P233-P240-P273-P303+P361+P353-P305+P351+P338
target organs
Respiratory system
PPE

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 · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
2
ridadr
UN 1993 3/PG 3
risk_code
36/37/38-51/53-11
Signal word
Warning
Symbol(GHS)
GHS02,GHS07,GHS09
hazard_code
Xi,N,F
safety_code
26-28-61
Storage Class
3 - Flammable liquids
target organs
Respiratory system
Hazard statements
H226-H315-H319-H335-H411
Hazard Classifications
Aquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements

Chemistry & industry

Upstream & downstream products

Downstream products

Ethyl 3-oxobutanoate sodium salt2-ETHYLACRYLIC ACID 98Ethyl tiglate

Suppliers27 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]

Related reactions

17 records
New reaction record
HRID 206683 reaction equation
HRID 206683As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 225950 reaction equation
HRID 225950As productuspto-grants-2009_07
HRID 225951 reaction equation
HRID 225951As reactantuspto-grants-2009_07
HRID 225952 reaction equation
HRID 225952As reactantuspto-grants-2009_07
HRID 237810 reaction equation
HRID 237810As reactantuspto-grants-2014_02
HRID 258484 reaction equation
HRID 258484As reactantuspto-grants-1993_11
HRID 316976 reaction equation
HRID 316976As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 362440 reaction equation
HRID 362440As productuspto-grants-1999_02
Page 1 of 3

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes
Xi,N,F
Risk Statements
36 · 36/37/38-51/53-11
Safety Statements
26 · 26-28-61
RIDADR
1993 · UN 1993 3/PG 3
WGK Germany
2 · 2
Storage Class
3 · 3 - Flammable liquids
Hazard Classifications
2 Eye · Aquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
P210-P233-P240-P273-P303+P361+P353-P305+P351+P338
江苏艾康生物医药研发有限公司
025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
湖州澄博生物科技有限公司13626726938
南京克罗托鲁宁医药科技有限公司13382066392
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
溧阳市瑞普新材料有限公司0519-18951201333 18951201333 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
榆林润天畅化工有限责任公司15890142075 15890142075 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]