CAS 10602-36-5|4,4-diethoxybut-1-ene|4,4-diethoxybut-1-ene|4,4-Diethoxybut-1-ene|3-Butenal diethyl acetal|3-丁烯醛二乙基缩醛|4,4-Diethoxy-1-butene|4,4-二乙氧基-1-丁烯

Molecular Formula

C₈H₁₆O₂

Molecular Mass

144.21144

Exact Mass

144.11502975

InChI

InChI=1S/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3

InChIKey

PRCYIYOCMALJCX-UHFFFAOYSA-N

Canonic Smiles

CCOC(CC=C)OCC

Isomeric Smiles

C(=C)CC(OCC)OCC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9082775

LogD (pH = 7.4)

1.9082775

Log P

1.9082775

Molar Refractivity

42.3189

Polarizability

16.60571

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

256426

Synonyms

4,4-Diethoxybut-1-ene3-丁烯醛二乙基缩醛3-Butenal diethyl acetal4,4-二乙氧基-1-丁烯4,4-Diethoxy-1-butene

IUPAC Traditional name

4,4-diethoxybut-1-ene

IUPAC name

4,4-diethoxybut-1-ene

PubChem SID

16203730724858573

CAS Number

10602-36-5

MDL Number

MFCD00012219

Storage Warning

IRRITANT

MSDS Link

Download link

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

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

Safety Statements

16-26-36/37/39

Hazard Class

German water hazard class

GHS Signal Word

Warning

European Hazard Symbols

Irritant (Xi)

GHS Precautionary statements

P261-P305+P351+P338

RID/ADR

UN 1993 3/PG 3

UN Number

1993

GHS Hazard statements

H226-H315-H319-H335

Packing Group

Risk Statements

10-36/37/38

Personal Protective Equipment

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

Product Information

Linear Formula

H2C=CHCH2CH(OC2H5)2

Purity

97%

Physical Property

Flash Point

93.2 °F

34 °C

Density

0.851 g/mL at 25 °C(lit.)

Refractive Index

n20/D 1.408(lit.)

Boiling Point

66-67 °C/50 mmHg(lit.)

No Data Available

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No Data Available

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Sigma Aldrich

307246

Packaging
5 g in glass bottle

No Data Available

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Academic Data

PubChem

256426

Synonyms

4,4-Diethoxybut-1-ene3-丁烯醛二乙基缩醛3-Butenal diethyl acetal4,4-二乙氧基-1-丁烯4,4-Diethoxy-1-butene

IUPAC Traditional name

4,4-diethoxybut-1-ene

IUPAC name

4,4-diethoxybut-1-ene

PubChem SID

16203730724858573

CAS Number

10602-36-5

MDL Number

MFCD00012219

Safety Information

Product Information

Linear Formula

H2C=CHCH2CH(OC2H5)2

Purity

97%

Physical Property

Flash Point

93.2 °F

34 °C

Density

0.851 g/mL at 25 °C(lit.)

Refractive Index

n20/D 1.408(lit.)

Boiling Point

66-67 °C/50 mmHg(lit.)

Sigma Aldrich

307246

Packaging
5 g in glass bottle

No Data Available

Click here to submit data

Molecule

ID:72166