CAS 10371-45-6 sec-Butyl Crotonate (HCID 5366041)

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Basic information

CAS: 10371-45-6
Standard SMILES: C/C=C/C(=O)OC(C)CC
InChIKey: KAKJZWSUVDRWQU-GQCTYLIASA-N
Molecular formula: C8H14O2
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.09937969

Names & identifiers

Preferred name: sec-Butyl Crotonate
IUPAC: butan-2-yl (E)-but-2-enoate
English name: sec-Butyl Crotonate
Molecular formula: C8H14O2
Molecular weight: 142.2

Names & synonyms

sec-Butyl CrotonateRefChem:8847651-Methylpropyl (2E)-2-butenoate679-622-5Crotonic Acid sec-Butyl Ester10371-45-6sec-Butylcrotonate44917-51-3MFCD00059054Crotonic acid, sec-butyl esterbutan-2-yl (E)-but-2-enoateSec-butyl (E)-but-2-enoate

Show more names

AKOS 92214S-BUTYL CROTONATEsec-Butyl Crotonate >Sec-butyl (E)-but-2-enoate2-Butenoic acid, 1-methylpropyl ester, (2E)-

SEC-BUTYL BUT-2-ENOATE2-Butenoic acid, 1-methylpropyl ester, (E)-Sec-butyl (2E)-2-butenoate2-Butenoic acid, 1-methylpropyl ester2-butyl crotonate(E)-2-Butenoic acid 1-methylpropyl esterec-Butyl (2E)-2-butenoate(E)-sec-butyl but-2-enoate

Database identifiers

CAS: 10371-45-6、44917-51-3
PubChem CID: 5366041
DTXSID: DTXSID701030320
EC Number: 679-622-5
Nikkaji: J43.287C

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 166 °C · 166 °C
Density: 0.89 · 0.89
refractive index: 1.428 · 1.4280-1.4290
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.89 · 0.89
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
RIDADR: 3272 · 3272
HazardClass: 3 · 3
PackingGroup: III
HS Code: 2916199590 · 2916199590

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 3272
hs_code: 2916199590
Signal word: Warning
Symbol(GHS): GHS02
hazard_class: 3
packing_group: III
Hazard statements: H226
Precautionary statements: P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Chemistry & industry

Applications

Usessec-butyl butyl ester can be used in chemical production to prepare drug controlled-release membranes, and is mainly used as a chemical and pharmaceutical intermediate.