CAS 6607-66-5|1,3,3-trimethoxybutane|1,3,3-TRIMETHOXYBUTANE|1,3,3-trimethoxybutane|4-甲氧基-2-丁酮二甲基缩醛|4-Methoxy-2-butanone dimethyl acetal|1,3,3-Trimethoxybutane|1,3,3-三甲氧基丁烷

Molecular Formula

C₇H₁₆O₃

Molecular Mass

148.20014

Exact Mass

148.10994437

InChI

InChI=1S/C7H16O3/c1-7(9-3,10-4)5-6-8-2/h5-6H2,1-4H3

InChIKey

DIQSNTFKLAYVOT-UHFFFAOYSA-N

Canonic Smiles

COCCC(OC)(OC)C

Isomeric Smiles

COCCC(C)(OC)OC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.87484235

LogD (pH = 7.4)

0.87484235

Log P

0.87484235

Molar Refractivity

39.3107

Polarizability

15.720697

Polar Surface Area

27.69

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

81084

IUPAC Traditional name

1,3,3-trimethoxybutane

Synonyms

1,3,3-TRIMETHOXYBUTANE4-甲氧基-2-丁酮二甲基缩醛4-Methoxy-2-butanone dimethyl acetal1,3,3-Trimethoxybutane1,3,3-三甲氧基丁烷

IUPAC name

1,3,3-trimethoxybutane

CAS Number

PubChem SID

MDL Number

MSDS Link

GHS Signal Word

Warning

Hazard Class

German water hazard class

Risk Statements

Safety Statements

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Packing Group

GHS Hazard statements

H226

RID/ADR

UN 3271 3/PG 3

Personal Protective Equipment

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

UN Number

3271

Product Information

Certificate of Analysis

Download link

Linear Formula

CH3C(OCH3)2CH2CH2OCH3

Purity

97%

Physical Property

Flash Point

114.8 °F

46 °C

Density

0.94 g/mL at 25 °C(lit.)

Refractive Index

n20/D 1.41(lit.)

Boiling Point

61-63 °C/20 mmHg(lit.)

No Data Available

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No Data Available

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MP Biomedicals

05222155

MP Biomedicals Rare Chemical collection

Sigma Aldrich

197882

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

81084

IUPAC Traditional name

1,3,3-trimethoxybutane

Synonyms

1,3,3-TRIMETHOXYBUTANE4-甲氧基-2-丁酮二甲基缩醛4-Methoxy-2-butanone dimethyl acetal1,3,3-Trimethoxybutane1,3,3-三甲氧基丁烷

IUPAC name

1,3,3-trimethoxybutane

CAS Number

6607-66-5

PubChem SID

16209682324851849

MDL Number

MFCD00008478

Safety Information

Product Information

Certificate of Analysis

Download link

Linear Formula

CH3C(OCH3)2CH2CH2OCH3

Purity

97%

Physical Property

Flash Point

114.8 °F

46 °C

Density

0.94 g/mL at 25 °C(lit.)

Refractive Index

n20/D 1.41(lit.)

Boiling Point

61-63 °C/20 mmHg(lit.)

MP Biomedicals

05222155

MP Biomedicals Rare Chemical collection

Sigma Aldrich

197882

Packaging
25 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:112007