trans-3-hexenoic acid (CAS 1577-18-0) — formula C6H10O2, molecular weight 114.14; category organic chemicals.
| CAS Number | 1577-18-0 |
|---|---|
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.14 |
| LogP | 1.2 |
| Category | Organic Chemicals |
trans-3-hexenoic acid is a carbon-based organic compound with CAS registry number 1577-18-0 and molecular formula C6H10O2 (molecular weight 114.14), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1577-18-0
Its molecular formula C6H10O2 comprises 6 C, 10 H, 2 O atoms.
Also known as: trans-3-hexenoic acid · 反-3-己烯酸 · 3-Hexenoic acid
Category: organic chemicals
The CAS registry number of trans-3-hexenoic acid is 1577-18-0.
Molecular formula C6H10O2, molecular weight 114.14.
It is also registered under: trans-3-hexenoic acid, 反-3-己烯酸, 3-Hexenoic acid.
Category: Organic Chemicals.
Independent reference data for trans-3-hexenoic acid (CAS 1577-18-0), compiled from public chemistry databases.
| CAS Registry Number | 1577-18-0 |
|---|---|
| PubChem CID | 5282708 |
| Molecular formula | C6H10O2 |
| Molecular weight | 114.07 g/mol |
| IUPAC name | (E)-hex-3-enoic acid |
| InChIKey | XXHDAWYDNSXJQM-ONEGZZNKSA-N |
| UNII (FDA) | 9B3N069EDG |
| ChEBI ID | CHEBI:49285 |
| FEMA number | 3170 |
| JECFA number | 317 |
| Molecular Weight | 114.14 |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 114.068079557 |
| Monoisotopic Mass | 114.068079557 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 8 |
trans-3-Hexenoic acid; 1577-18-0; 3-Hexenoic acid, (3E)-; (E)-3-Hexenoic acid; trans-Hex-3-enoic acid; 3-Hexenoic acid, (E)-; FEMA No. 3170; 9B3N069EDG; NSC-26715; CHEBI:49285; RefChem:1100232; 216-417-8; (E)-hex-3-enoic acid; Hydrosorbic acid; 3-HEXENOIC ACID; (3E)-hex-3-enoic acid
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/68 FAS 42-JECFA 51/267 |
|---|---|
| GHS notification summary | 0.1% (2 / 1372) |
| GHS notification summary | 0.1% (2 / 1372) |
|---|---|
| Reported hazard statements | H314 (99.9%) |
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1372) of reports.
H314 (99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
3-Hexenoic acid is identified by CAS 1577-18-0, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII 9B3N069EDG; ChEBI 49285; InChIKey XXHDAWYDNSXJQM-ONEGZZNKSA-N.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 反-3-己烯酸