trans-Vaccenic acid
trans-Vaccenic acid structure
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Common Name | trans-Vaccenic acid | ||
|---|---|---|---|---|
| CAS Number | 693-72-1 | Molecular Weight | 282.461 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 398.2±11.0 °C at 760 mmHg | |
| Molecular Formula | C18H34O2 | Melting Point | 44℃ | |
| MSDS | Chinese USA | Flash Point | 295.0±14.4 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of trans-Vaccenic acidtrans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | trans-vaccenic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level. |
|---|---|
| Related Catalog | |
| Target |
Human Endogenous Metabolite |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 398.2±11.0 °C at 760 mmHg |
| Melting Point | 44℃ |
| Molecular Formula | C18H34O2 |
| Molecular Weight | 282.461 |
| Flash Point | 295.0±14.4 °C |
| Exact Mass | 282.255890 |
| PSA | 37.30000 |
| LogP | 7.70 |
| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
| Index of Refraction | 1.467 |
| InChIKey | UWHZIFQPPBDJPM-BQYQJAHWSA-N |
| SMILES | CCCCCCC=CCCCCCCCCCC(=O)O |
| Storage condition | −20°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 2 | |
CAS#:1937-63-9
CAS#:693-04-9
CAS#:506-17-2
CAS#:111-71-7
CAS#:7530-96-3
CAS#:29780-00-5
CAS#:112-38-9
CAS#:112-80-1
CAS#:2834-05-1
CAS#:1852-04-6
CAS#:53163-99-8This table lists relevant public references with title, journal and publication metadata for this compound.
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Characterization of Shrimp Oil from Pandalus borealis by High Performance Liquid Chromatography and High Resolution Mass Spectrometry.
Mar. Drugs 13 , 3849-76, (2015) Northern shrimp (Pandalus borealis) oil, which is rich in omega-3 fatty acids, was recovered from the cooking water of shrimp processing facilities. The oil contains significant amounts of omega-3 fat... |
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A 4-week repeated oral dose toxicity study of dairy fat naturally enriched in vaccenic, rumenic and α-linolenic acids in rats.
J. Agric. Food Chem. 59(14) , 8036-46, (2011) Few studies have focused on the toxicological risks of dairy fat intake. A standard dairy fat (SDF) with a 70% SFA content and a naturally enriched dairy fat (EDF) in vaccenic, rumenic and α-linolenic... |
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Vaccenic acid in serum triglycerides is associated with markers of insulin resistance in men.
Appl. Physiol. Nutr. Metab. 37(5) , 1003-7, (2012) Serum triglyceride levels are associated with metabolic disorders; however, it remains unclear whether the fatty acid (FA) composition of triglycerides is also changed. Although there were no differen... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| trans-Vaccinic acid |
| methyl (E)-3-(4-morpholinyl)-2-propenoate |
| MFCD00002734 |
| (E)-methyl 3-morpholinoacrylate |
| trans-11-Octadecenoic acid |
| octadec-11(E)-enoic acid |
| (11E)-vaccenic acid |
| 2-Propenoic acid,3-(4-morpholinyl)-,methyl ester,(E) |
| Vaccenic acid |
| 11-octadecenoic acid |
| trans-octadec-11-enoic acid |
| 11-octadecenoyl alcohol |
| (11E)-Octadec-11-enoic acid |
| (11E)-Octadecenoic acid |
| (E)-3-(4-Morpholinyl)-2-propenoic acid methyl ester |
| (E)-11-octadecenoic acid |
| (11E)-11-Octadecenoic acid |
| methyl (E)-3-morpholinoacrylate |
| trans-1-methoxycarbonyl-2-morpholylethylene |
| trans-Vaccenic acid |
| (E)-vaccenic acid |
| (E)-octadec-11-enoic acid |
| EINECS 211-758-9 |
| (E)-methyl 3-(morpholin-4-yl)prop-2-enoate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of trans-vaccenic acid? |
| A: Molecular formula of trans-vaccenic acid is C18H34O2. |
| Q: What is the LogP of trans-vaccenic acid? |
| A: LogP of trans-vaccenic acid is 7.70. |
| Q: What are the upstream materials of trans-vaccenic acid? |
| A: Related upstream materials(CAS) of trans-vaccenic acid: 1937-63-9;693-04-9;506-17-2;111-71-7;7530-96-3;29780-00-5;112-38-9;112-80-1;2834-05-1. |
| Q: What is the polar surface area (PSA) of trans-vaccenic acid? |
| A: Polar surface area (PSA) of trans-vaccenic acid is 37.30000. |
| Q: What is the CAS number of trans-vaccenic acid? |
| A: CAS number of trans-vaccenic acid is 693-72-1. |
| Q: What are the storage conditions for trans-vaccenic acid? |
| A: Storage conditions for trans-vaccenic acid: −20°C. |
| Q: What is the SMILES notation of trans-vaccenic acid? |
| A: SMILES notation of trans-vaccenic acid is CCCCCCC=CCCCCCCCCCC(=O)O. |
| Q: What are the downstream products of trans-vaccenic acid? |
| A: Related downstream products(CAS) of trans-vaccenic acid: 1852-04-6;53163-99-8. |
| Q: What is the safety information for trans-vaccenic acid? |
| A: Safety information for trans-vaccenic acid: 26-36. |
| Q: What is the molecular weight of trans-vaccenic acid? |
| A: Molecular weight of trans-vaccenic acid is 282.461. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |