628-81-9|1-ethoxybutane|1-Ethoxybutane|Butyl ethyl ether|butyl ethyl ether|n-Butyl ethyl ether

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1-ethoxybutane: ChemBase ID: 149713; Molecular Formular: C6H14O; Molecular Mass: 102.17476; Monoisotopic Mass: 102.10446507
SMILES and InChIs

SMILES:
CCCCOCC
Canonical SMILES:
CCCCOCC
InChI:
InChI=1S/C6H14O/c1-3-5-6-7-4-2/h3-6H2,1-2H3
InChIKey:
PZHIWRCQKBBTOW-UHFFFAOYSA-N
Cite this record CBID:149713 http://www.chembase.cn/molecule-149713.html

NAMES AND DATABASE IDS

Names Database IDs

IUPAC name

1-ethoxybutane

IUPAC Traditional name

butyl ethyl ether

Synonyms

Butyl ethyl ether

1-Ethoxybutane

n-Butyl ethyl ether

乙基丁基醚

正丁基乙醚

CAS Number

628-81-9

EC Number

211-055-7

MDL Number

MFCD00009455

Beilstein Number

1731323

PubChem SID

162243875

24845436

24856302

PubChem CID

12355

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

Data Source	Data ID
Sigma Aldrich	268925 03200
Alfa Aesar	A17963
PubChem	12355

Data Source

Data ID

Price

Sigma Aldrich

268925	Please log in.
03200	Please log in.

Alfa Aesar

A17963

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Data Source	Data ID
PubChem	12355

CALCULATED PROPERTIES

JChem

H Acceptors	1	H Donor	0
LogD (pH = 5.5)	1.8052564	LogD (pH = 7.4)	1.8052564
Log P	1.8052564	Molar Refractivity	31.6347 cm³
Polarizability	12.476034 Å³	Polar Surface Area	9.23 Å²
Rotatable Bonds	4	Lipinski's Rule of Five	true

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)

Solubility

Slightly soluble in water

Show data source

Melting Point

-124 °C(lit.)	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
-124°C	Show data source Alfa Aesar - A17963

Boiling Point

91-92 °C(lit.)	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
91-92°C	Show data source Alfa Aesar - A17963

Flash Point

-1 °C	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
30.2 °F	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
-6°C(21°F)	Show data source Alfa Aesar - A17963

Density

0.75	Show data source Alfa Aesar - A17963
0.75 g/mL at 25 °C(lit.)	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200

Refractive Index

1.382	Show data source Alfa Aesar - A17963
n20/D 1.382	Show data source Sigma Aldrich - 03200
n20/D 1.382(lit.)	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200

Vapor Pressure

52 mmHg ( 25 °C)

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RTECS

KN4725000

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European Hazard Symbols

Flammable (F)	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200 Alfa Aesar - A17963
X	Show data source Alfa Aesar - A17963
Harmful (Xn)	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200

UN Number

1179	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
UN1179	Show data source Alfa Aesar - A17963

MSDS Link

Download	Show data source Sigma Aldrich - 268925
Download	Show data source Sigma Aldrich - 03200

German water hazard class

1	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200

Hazard Class

3	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200 Alfa Aesar - A17963

Packing Group

2	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
II	Show data source Alfa Aesar - A17963

Risk Statements

11-20/22	Show data source Alfa Aesar - A17963
11-22	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200

Safety Statements

16-23	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
36	Show data source Alfa Aesar - A17963

TSCA Listed

是	Show data source Alfa Aesar - A17963

GHS Pictograms

	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200 Alfa Aesar - A17963
	Show data source Alfa Aesar - A17963
	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200

GHS Signal Word

Danger

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GHS Hazard statements

H225-H301-H332	Show data source Alfa Aesar - A17963
H225-H302	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200

GHS Precautionary statements

P210	Show data source Sigma Aldrich - 268925 Sigma Aldrich - 03200
P210-P241-P301+P310-P303+P361+P353-P405-P501A	Show data source Alfa Aesar - A17963

Personal Protective Equipment

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

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RID/ADR

UN 1179 3/PG 2

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Purity

≥98.0% (GC)	Show data source Sigma Aldrich - 03200
99%	Show data source Sigma Aldrich - 268925 Alfa Aesar - A17963

Grade

purum

Show data source

Linear Formula

CH3(CH2)3OC2H5

Show data source

DETAILS

Sigma Aldrich

Sigma Aldrich - 268925

Packaging
10, 50 g in glass bottle

REFERENCES

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PATENTS

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INTERNET

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Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified

1-ethoxybutane

SMILES and InChIs

Cite this record

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

DATA SOURCES

DATA SOURCES

CALCULATED PROPERTIES

CALCULATED PROPERTIES

PROPERTIES

PROPERTIES

DETAILS

DETAILS

REFERENCES

REFERENCES

PATENTS

PATENTS

INTERNET

INTERNET