CAS 818-57-5|4-Pentenoic acid methyl ester|Methyl 4-pentenoate|Allylacetic acid methyl ester|4-戊烯酸甲酯|methyl pent-4-enoate|methyl pent-4-enoate|烯丙基乙酸甲酯|Methyl allylacetate

Molecular Formula

C₆H₁₀O₂

Molecular Mass

114.1424

Exact Mass

114.06807956

InChI

InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3

InChIKey

SHCSFZHSNSGTOP-UHFFFAOYSA-N

Canonic Smiles

COC(=O)CCC=C

Isomeric Smiles

COC(=O)CCC=C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2082335

LogD (pH = 7.4)

1.2082335

Log P

1.2082335

Molar Refractivity

31.2858

Polarizability

12.307829

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

4-Pentenoic acid methyl esterMethyl 4-pentenoate烯丙基乙酸甲酯Allylacetic acid methyl ester4-戊烯酸甲酯Methyl allylacetate

IUPAC name

methyl pent-4-enoate

IUPAC Traditional name

methyl pent-4-enoate

MDL Number

MFCD03990590

PubChem SID

24873071162230328

Product Information

Empirical Formula (Hill Notation)

C6H10O2

Purity

≥95%

≥95.0% (GC)

Safety Statements

German water hazard class

European Hazard Symbols

Irritant (Xi)

MSDS Link

Download link

GHS Signal Word

Warning

Risk Statements

10-36

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

GHS Hazard statements

H226-H319

Hazard Class

UN Number

3272

Packing Group

RID/ADR

UN 3272 3/PG 3

GHS Precautionary statements

P305+P351+P338

Personal Protective Equipment

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

Physical Property

Flash Point

29 °C

84.2 °F

Refractive Index

n20/D 1.415

No Data Available

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No Data Available

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Sigma Aldrich

49661

Packaging
1, 5 g in glass bottle

No Data Available

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Commercial Catalog

Academic Data

Synonyms

4-Pentenoic acid methyl esterMethyl 4-pentenoate烯丙基乙酸甲酯Allylacetic acid methyl ester4-戊烯酸甲酯Methyl allylacetate

IUPAC name

methyl pent-4-enoate

IUPAC Traditional name

methyl pent-4-enoate

MDL Number

MFCD03990590

PubChem SID

24873071162230328

Sigma Aldrich

49661

Packaging
1, 5 g in glass bottle

No Data Available

Click here to submit data

Product Information

Empirical Formula (Hill Notation)

C6H10O2

Purity

≥95%

≥95.0% (GC)

Safety Information

Physical Property

Flash Point

29 °C

84.2 °F

Refractive Index

n20/D 1.415

Molecule

ID:136057