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1-Ethyl hexanedioate

1-Ethyl hexanedioate structure

CAS No:
626-86-8
Formula:
C8H14O4
Chemical Name:
1-Ethyl hexanedioate
Synonyms:
Hexanedioic acid,1-ethyl ester;Adipic acid,monoethyl ester;Hexanedioic acid,monoethyl ester;Adipic acid,ethyl ester;1-Ethyl hexanedioate;Monoethyl adipate;Ethyl hydrogen adipate;Monoethyl hexanedioate;Ethyl hydrogen hexanedioate;1,4-Butanedicarboxylic acid monoethyl ester;NSC 8877;6-Ethoxy-6-oxohexanoic acid;1,6-Hexandioic acid ethyl ester
Categories:
Chemical Reagents > Organic Reagents

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Description

solid

1-Ethyl hexanedioate Basic Attributes

Molecular Weight：

174.196

Exact Mass：

174.19

EC Number：

210-966-7

NSC Number：

8877

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

1.03

Density：

1.1±0.1 g/cm3

Melting Point：

29 °C

Boiling Point：

285 °C

Flash Point：

110.8±13.3 °C

Refractive Index：

1.448

Water Solubility：

Soluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S24/25

RTECS Number：

AV2030000

Stability/Shelf Life：

Stable. Incompatible with bases, reducing agents, oxidizing agents.

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

adipic acid monoethyl ester

1-Ethyl hexanedioate Use and Manufacturing

Manufacturing Info：

Hexanedioic acid, 1-ethyl ester: INACTIVE

Computed Properties

Molecular Weight:174.19
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:174.08920892
Monoisotopic Mass:174.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:12
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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