CAS 17129-06-5|(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one|(E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one|(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one|4-ethoxy-1,1,1-trifluorobut-3-en-2-one|4-ethoxy-1,1,...

Molecular Formula

C₆H₇F₃O₂

Molecular Mass

168.1137896

Exact Mass

168.03981412

InChI

InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+

InChIKey

YKYIFUROKBDHCY-ONEGZZNKSA-N

Canonic Smiles

CCO/C=C/C(=O)C(F)(F)F

Isomeric Smiles

C(C(=O)/C=C/OCC)(F)(F)F

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8741243

LogD (pH = 7.4)

1.8741243

Log P

1.8741243

Molar Refractivity

33.3302

Polarizability

11.940268

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

5709222

IUPAC name

(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one 4-ethoxy-1,1,1-trifluorobut-3-en-2-one

Synonyms

(E)-4-Ethoxy-1,1,1-trifluorobut-3-en-2-one4-Ethoxy-1,1,1-trifluoro-3-buten-2-one4-Ethoxy-1,1,1-trifluorobut-3-en-2-one, techETFBO4-乙氧基-1,1,1-三氟-3-丁烯-2-酮4-Ethoxy-1,1,1-trifluorobut-3-en-2-one

IUPAC Traditional name

(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one 4-ethoxy-1,1,1-trifluorobut-3-en-2-one

PubChem SID

16205779824865486

CAS Number

17129-06-5

Storage Warning

IRRITANT, FLAMMABLE

Flammable/Harmful/Keep Cold

Moisture Sensitive

MSDS Link

Download link

TSCA Listed

false

否

GHS Hazard statements

H226-H351

H330-H302-H315-H319-H317-H372-H226-H402-H412

European Hazard Symbols

Harmful (Xn)

Highly toxic (T+)

UN Number

1224

UN3384

German water hazard class

GHS Pictograms

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

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

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

GHS Precautionary statements

P281

P280H-P305+P351+P338-P302+P352-P304+P340-P309-P310

Risk Statements

10-40

10-22-26-36/38-43-48/23-52/53

Packing Group

RID/ADR

UN 1224 3/PG 3

Safety Statements

36/37

26-28-36/37-45-61

Personal Protective Equipment

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

Hazard Class

6.1

GHS Signal Word

Warning

Storage Temperature

2-8°C

Physical Property