CAS 356-27-4 Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester (HCID 9644)

Names & identifiers

Preferred name: Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester
IUPAC: ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
English name: Ethyl heptafluorobutyrate
Molecular formula: C6H5F7O2
Molecular weight: 242.09

Names & synonyms

Ethyl heptafluorobutyrateEthyl 2,2,3,3,4,4,4-heptafluorobutanoateButanoic acid, heptafluoro-, ethyl esterBUTYRIC ACID, HEPTAFLUORO-, ETHYL ESTERAI3-52654NSC 3639EINECS 206-602-1BRN 1794634Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, ethyl ester4-02-00-00813 (Beilstein Handbook Reference)RefChem:571327Butyric acid, heptafluoro, ethyl ester

Show more names

ethylperfluorTIMTEC-BB SBB008806ethylperfluorobutanoateethylheptafluorobutanoateEthyl perfluorobutyrate 97%EthylHeptafluorobutyrate>ETHYL HEPTAFLUORO-N-BUTYRATE

Butanoic acid, heptafluoro, ethyl esterButanoic acid, 2,2,3,3,4,4,4heptafluoro, ethyl ester206-602-1356-27-4Ethyl perfluorobutyrateEthyl heptafluorobutanoateHeptafluorobutyric acid ethyl esterEthyl perfluorobutanoate

Database identifiers

CAS: 356-27-4
PubChem CID: 9644
DTXSID: DTXSID9059882
UNII: 9SN2XYH3EJ
EC Number: 206-602-1
Nikkaji: J42.918J

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 9
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 244

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Esters

PFAS · 3 items

PFAS -> OECD Category

PFAS -> Other/unspecified

SpringerMaterials PropertiesDiamagnetic susceptibility

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 95 · 95-98°C
Density: 1.396 g/mL · 1.396 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.302(lit.)
Flash point: 58 °F · 58 °F
storage temp.: Flammables area
Water Solubility: Slightly soluble in water
form: Liquid
color: Clear colorless
BRN: 1794634 · 1794634
InChI: InChI=1S/C6H5F7O2/c1-2-15-3(14)4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChIKey: JVHJRIQPDBCRRE-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(F)(F)C(F)(F)C(F)(F)F
CAS DataBase Reference: 356 · 356-27-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 9 SN2XYH3EJ · 9SN2XYH3EJ
EPA Substance Registry System: Ethyl heptafluorobutyrate (356-27-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335-H225
Precautionary statements: 261 · P261-P303+P361+P353-P305+P351+P338-P405-P501a-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P210-P370+P378-P403+P235
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-26-33-36
RIDADR: 3272 · UN 3272 3/PG 2
WGK Germany: 3 · 3
RTECS: 4200000 · ET4200000
Hazard Note: Highly Flammable
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 · Flam. Liq. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses convulsions, dyspnea, and cyanosis in intraperitoneal lethal-dose studies of rabbits (LD50 = 250 mg/kg); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Ethyl 2-bromoisobutyrate and Methyl dichloroacetate.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: ET4200000
ridadr: UN 3272 3/PG 2
hs_code: 29159000
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi
hazard_note: Highly Flammable
safety_code: 16-26-33-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H315-H319-H335-H225
Hazard Classifications: Flam. Liq. 2
Precautionary statements: P261-P303+P361+P353-P305+P351+P338-P405-P501a-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P210-P370+P378-P403+P235