tert-Butyl ethyl malonate

HCID 96345
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Basic information

CAS
32864-38-3
Standard SMILES
CCOC(=O)CC(=O)OC(C)(C)C
InChIKey
OCOBFMZGRJOSOU-UHFFFAOYSA-N
Molecular formula
C9H16O4
Average molar mass
188.22 g/mol
Monoisotopic mass
188.10485899

Names & identifiers

Preferred name
tert-Butyl ethyl malonate
IUPAC
3-O-tert-butyl 1-O-ethyl propanedioate
English name
TERT-BUTYL ETHYL MALONATE
Molecular formula
C9H16O4
Molecular weight
188.22

Names & synonyms

tert-Butyl ethyl malonatePropanedioic acid, 1,1-dimethylethyl ethyl esterAI3-05683EINECS 251-269-8DTXSID40186519NSC 69070RefChem:894658DTXCID30109010251-269-832864-38-3T-butyl ethyl malonate3-O-tert-butyl 1-O-ethyl propanedioate
Show more names
MaloniTERT-BUTYL ETHYL MALt-Butyl ethyl nalonateTERT-BUTYL ETHYL MALOTEtert-Buty ethyl malonateETHYL TERT-BUTYL MALONATETert- butyl Ethyl Malonoate1-tert-Butyl 3-ethyl malonate
1-tert-butyl 3-ethyl propanedioateMFCD00009193tert-butyl ethyl propanedioatetert-butyl ethyl propane-1,3-dioateethyl tert-butyl propanedioateMalonic Acid tert-Butyl Ethyl EsterAKOS005256179AS-17859

Database identifiers

CAS
32864-38-3
PubChem CID
96345
DTXSID
DTXSID40186519
EC Number
251-269-8
Nikkaji
J319.461B

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
52.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
13

Physicochemical properties

Boiling point
83 · 83-85 °C/8 mmHg (lit.)
Density
0.994 g/mL · 0.994 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.416(lit.)
Flash point
189 °F · 189 °F
storage temp.
Inert atmosphere,Room Temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；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: Propanedioic acid, 1,1-dimethylethyl ethyl ester

Propanedioic acid, 1,1-dimethylethyl ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Regulatory information

Regulatory Information · 2 items

Chemical: Propanedioic acid, 1,1-dimethylethyl ethyl ester

Propanedioic acid, 1,1-dimethylethyl ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
ridadr
NA 1993 / PGIII
hs_code
29171900
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Usestert-Butyl ethyl malonate is used in the preparation of polar ester-functionalized aliphatic polysulfone. It is also a useful reagent for organic synthesis.

Usestert-Butyl ethyl malonate was used in the synthesis of polar ester-functionalized aliphatic polysulfone with remarkable thermal stability.

Upstream & downstream products

Downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

60 records
New reaction record

Compound notes

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