HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 11128564Generated: October 30, 2026

4-((tert-Butoxycarbonyl)amino)-3-oxobutanoic acid ethyl ester

Ethyl 4-((tert-butoxycarbonyl)aMino)-3-oxobutanoate · 132862 · 4-(Boc-amino)-3-oxobutanoic acid ethyl ester · TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE · 4-[(tert-Butoxycarbonyl)amino]-3-oxobutanoic acid ethyl ester · ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutanoate · Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-oxo-, ethyl ester

https://huagongshe.com/en/chemical/11128564

4-((tert-Butoxycarbonyl)amino)-3-oxobutanoic acid ethyl ester molecular structure

Identifiers & Physical Properties

CAS No.	67706-68-7
Molecular formula	C11H19NO5
Average molar mass	245.27 g/mol
SMILES	CCOC(=O)CC(=O)CNC(=O)OC(C)(C)C
InChIKey	MFRFJFDLZKHOFX-UHFFFAOYSA-N
PubChem CID	11128564
EC No.	870-681-4

Chemical & Physical Properties

XLogP	1.1
Topological polar surface area	81.7
Hydrogen bond donors	1
Hydrogen bond acceptors	5
Rotatable bonds	8
Heavy atoms	17
Formal charge	0
Complexity	293
Storage conditions	under inert gas (nitrogen or Argon) at 2-8°C
Appearance	Light yellow to yellow Liquid
InChI	InChI=1S/C11H19NO5/c1-5-16-9(14)6-8(13)7-12-10(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKey	MFRFJFDLZKHOFX-UHFFFAOYSA-N
SMILES	C(OCC)(=O)CC(=O)CNC(OC(C)(C)C)=O
GHS pictogram	GHS05,GHS06,GHS08,GHS09
Signal word	Danger
GHS hazard statements	H310-H302-H315-H318-H370-H373-H317-H341-H335-H410
GHS precautionary statements	P501-P273-P272-P260-P270-P262-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405

Safety & Regulations

GHS classification	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Danger
GHS pictogram	GHS05,GHS06,GHS08,GHS09
GHS hazard statements	H310-H302-H315-H318-H370-H373-H317-H341-H335-H410
GHS precautionary statements	P501-P273-P272-P260-P270-P262-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405

4-((tert-Butoxycarbonyl)amino)-3-oxobutanoic acid ethyl ester

CAS No.

67706-68-7

Molecular formula

C11H19NO5

Average molar mass

245.27 g/mol

SMILES

CCOC(=O)CC(=O)CNC(=O)OC(C)(C)C

InChIKey

MFRFJFDLZKHOFX-UHFFFAOYSA-N

PubChem CID

11128564

EC No.

870-681-4

Chemical & Physical Properties

XLogP

1.1

Topological polar surface area

81.7

Hydrogen bond donors

Hydrogen bond acceptors

Rotatable bonds

Heavy atoms

Formal charge

Complexity

293

Storage conditions

under inert gas (nitrogen or Argon) at 2-8°C

Appearance

Light yellow to yellow Liquid

InChI

InChI=1S/C11H19NO5/c1-5-16-9(14)6-8(13)7-12-10(15)17-11(2,3)4/h5-7H2,1-4H3,(H,12,15)

InChIKey

MFRFJFDLZKHOFX-UHFFFAOYSA-N

SMILES

C(OCC)(=O)CC(=O)CNC(OC(C)(C)C)=O

GHS pictogram

GHS05,GHS06,GHS08,GHS09

Signal word

Danger

GHS hazard statements

H310-H302-H315-H318-H370-H373-H317-H341-H335-H410

GHS precautionary statements

P501-P273-P272-P260-P270-P262-P202-P201-P271-P264-P280-P391-P308+P311-P361+P364-P333+P313-P301+P312+P330-P302+P352+P310-P304+P340+P312-P305+P351+P338+P310-P403+P233-P405

Safety & Regulations

GHS classification

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)