TIGLIC ACID (CAS 80-59-1) — formula C5H8O2, molecular weight 100.05 g/mol; category organic chemicals.
Documented applications: Fragrance Ingredients.
TIGLIC ACID is a carbon-based organic compound with CAS registry number 80-59-1 and molecular formula C5H8O2 (molecular weight 100.05 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80-59-1
Its molecular formula C5H8O2 comprises 5 C, 8 H, 2 O atoms.
Also known as: TIGLIC ACID · trans-2,3-Dimethylacrylic acid
Category: organic chemicals
The CAS registry number of TIGLIC ACID is 80-59-1.
Molecular formula C5H8O2, molecular weight 100.05 g/mol.
It is also registered under: TIGLIC ACID, trans-2,3-Dimethylacrylic acid.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Public-database records for TIGLIC ACID (CAS 80-59-1), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (97.1%), H319 (97.2%) |
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H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg |
|---|---|
| 沸点 | 95.00 to 96.00 °C. @ 12.00 mm Hg |
| 熔点 | 62.5-64 °C |
| 熔点 | 61 - 65 °C |
| 溶解度 | 1 mg/mL |
| 密度 | 0.972 |
| 密度 | 密度: 0.9641 g/cu cm at 76 °C |
| 蒸气压 | 1.33X10-1 mm Hg at 25 °C |
| Dissociation Constants | pKa = 4.96 at 18 °C |
| Dissociation Constants | pk = 5.02 at 25 °C |
| CAS Registry Number | 80-59-1 |
|---|---|
| PubChem CID | 125468 |
| 分子式 | C5H8O2 |
| 分子量 | 100.05 g/mol |
| IUPAC 名称 | (E)-2-methylbut-2-enoic acid |
| InChIKey | UIERETOOQGIECD-ONEGZZNKSA-N |
| UNII(FDA) | I5792N03HC |
| ChEBI 编号 | CHEBI:9592 |
| FEMA 编号 | 3599 |
| JECFA 编号 | 1205 |
TIGLIC ACID; 80-59-1; (E)-2-Methylbut-2-enoic acid; Tiglinic acid; trans-2,3-Dimethylacrylic acid; trans-2-Methyl-2-butenoic acid; trans-2-Methylcrotonic acid; (E)-2,3-Dimethylacrylic acid; (E)-2-Methyl-2-butenoic acid; (E)-2-Methylcrotonic acid; 2-Butenoic acid, 2-methyl-, (2E)-; Crotonic acid, 2-methyl-, (E)-; 2-Butenoic acid, 2-methyl-, (E)-; 2,3-Dimethylacrylic acid, (E)-; FEMA No. 3599; trans-alpha,beta-Dimethylacrylic acid
| 分子量 | 100.12 |
|---|---|
| XLogP3 | 1 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 1 |
| 精确质量 | 100.052429494 |
| 单同位素质量 | 100.052429494 |
| 拓扑极性表面积 | 37.3 |
| 重原子数 | 7 |
| 形式电荷 | 0 |
TIGLIC ACID is identified by CAS 80-59-1, molecular formula C5H8O2 and molecular weight 100.05 g/mol. UNII I5792N03HC; ChEBI 9592; InChIKey UIERETOOQGIECD-ONEGZZNKSA-N. 沸点: 198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg; 沸点: 95.00 to 96.00 °C. @ 12.00 mm Hg; 熔点: 62.5-64 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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