2-Ethylbutyric anhydride

HCID 96332
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Basic information

CAS
54502-37-3
Standard SMILES
CCC(CC)C(=O)OC(=O)C(CC)CC
InChIKey
YCURDTPXHPXCKH-UHFFFAOYSA-N
Molecular formula
C12H22O3
Average molar mass
214.3 g/mol
Monoisotopic mass
214.15689456

Names & identifiers

Preferred name
2-Ethylbutyric anhydride
IUPAC
2-ethylbutanoyl 2-ethylbutanoate
English name
2-Ethylbutyric anhydride
Molecular formula
C12H22O3
Molecular weight
214.3

Names & synonyms

2-Ethylbutyric anhydride54502-37-32-ethylbutanoic anhydrideDiethylacetic anhydride9DT9S9P8TF2-Ethylbutyric acid anhydrideButanoic acid, 2-ethyl-, anhydrideEINECS 259-187-4NSC-67901DTXSID30202914NSC 67901BUTYRIC ACID, 2-ETHYL-, ANHYDRIDE
Show more names
2-ETHYLBUTRIC ANHYDRIDEBis(2-ethylbutanoic)anhydrideBis(2-ethylbutyric acid)anhydride
RefChem:86953DTXCID60125405259-187-42-ethylbutanoyl 2-ethylbutanoateMFCD000428942-ethylbutanoicanhydrideUNII-9DT9S9P8TFSCHEMBL247701

Database identifiers

CAS
54502-37-3
PubChem CID
96332
DTXSID
DTXSID30202914
UNII
9DT9S9P8TF
EC Number
259-187-4
Nikkaji
J266.899H

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
15

Physicochemical properties

Boiling point
245 ℃ · 245℃
Density
0.927 g/mL · 0.927 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.425
Flash point
107 ℃ · 107℃
FDA UNII
9 DT9S9P8TF · 9DT9S9P8TF
Symbol(GHS)
5 · GHS05

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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 InformationChemical: Butanoic acid, 2-ethyl, anhydride
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Regulatory information

Regulatory InformationChemical: Butanoic acid, 2-ethyl, anhydride

Safety data

wgk
3
ridadr
UN 3265 8/PG 3
risk_code
34
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
C

Chemistry & industry

Suppliers18 total

三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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