Isobutyl 2-butenoate (CAS 73545-15-0) — formula C8H14O2, molecular weight 142.10 g/mol.
| CAS Number | 73545-15-0 |
|---|---|
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.10 g/mol |
| Boiling Point | 171 °C |
| LogP | 2.3 |
| Applications | Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 2-Butenoic acid, 2-methylpropyl ester, (2E)-: INACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 2-Butenoic acid, 2-methylpropyl ester, (2E)-: INACTIVE.
Isobutyl 2-butenoate is a chemical compound with CAS registry number 73545-15-0 and molecular formula C8H14O2 (molecular weight 142.10 g/mol).
CAS number: 73545-15-0
Its molecular formula C8H14O2 comprises 8 C, 14 H, 2 O atoms.
Also known as: Isobutyl 2-butenoate · 2-丁烯酸异丁酯
The CAS registry number of Isobutyl 2-butenoate is 73545-15-0.
Molecular formula C8H14O2, molecular weight 142.10 g/mol.
It is also registered under: Isobutyl 2-butenoate, 2-丁烯酸异丁酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 2-Butenoic acid, 2-methylpropyl ester, (2E)-: INACTIVE.
Independent reference data for Isobutyl 2-butenoate (CAS 73545-15-0), compiled from public chemistry databases.
| CAS Registry Number | 73545-15-0 |
|---|---|
| PubChem CID | 5365793 |
| Molecular formula | C8H14O2 |
| Molecular weight | 142.10 g/mol |
| IUPAC name | 2-methylpropyl (E)-but-2-enoate |
| InChIKey | XDOWKOALJBOBBL-SNAWJCMRSA-N |
| UNII (FDA) | 6H6IW50K3Z |
| FEMA number | 3432 |
| JECFA number | 1206 |
| Molecular Weight | 142.20 |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 142.099379685 |
| Monoisotopic Mass | 142.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 171 °C |
|---|---|
| Density | 0.880-0.900 |
| Refractive Index | 1.426-1.430 |
Isobutyl 2-butenoate; 73545-15-0; 6H6IW50K3Z; TRANS-ISOBUTYL CROTONATE; 2-Butenoic acid, 2-methylpropyl ester, (E)-; 2-Butenoic acid, 2-methylpropyl ester, (2E)-; Crotonic acid, isobutyl ester, (trans)-; (E)-isobutyl but-2-enoate; ISOBUTYL-2-BUTENOATE; 2-Methylpropyl crotonate; ISOBUTYL-2-BUTENOATE [FCC]; ISOBUTYL 2-BUTENOATE [FHFI]; RefChem:791595; 209-658-5; Crotonic Acid Isobutyl Ester; 589-66-2
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 922-JECFA 61/75 |
|---|
| Reported hazard statements | H226 (98.3%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H226 (98.3%): 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)
Isobutyl 2-butenoate is identified by CAS 73545-15-0, molecular formula C8H14O2 and molecular weight 142.10 g/mol. UNII 6H6IW50K3Z; InChIKey XDOWKOALJBOBBL-SNAWJCMRSA-N. Boiling Point: 171 °C; Density: 0.880-0.900; Refractive Index: 1.426-1.430.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-丁烯酸异丁酯