2-Methylbutyric acid
2-Methylbutyric acid structure
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Common Name | 2-Methylbutyric acid | ||
|---|---|---|---|---|
| CAS Number | 116-53-0 | Molecular Weight | 102.132 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 175.3±8.0 °C at 760 mmHg | |
| Molecular Formula | C5H10O2 | Melting Point | -70ºC | |
| MSDS | Chinese USA | Flash Point | 73.9±0.0 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
Summary: 2-Methylbutyric acid (CAS number: 116-53-0) is a colorless, transparent liquid with molecular formula C5H10O2 and molecular weight 102.132. It is used for flavoring in food, tobacco, and cosmetics as specified by GB 2760--1996. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-methylbutyric acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 175.3±8.0 °C at 760 mmHg |
| Melting Point | -70ºC |
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.132 |
| Flash Point | 73.9±0.0 °C |
| Exact Mass | 102.068077 |
| PSA | 37.30000 |
| LogP | 1.13 |
| Vapour Pressure | 0.6±0.7 mmHg at 25°C |
| Index of Refraction | 1.418 |
| InChIKey | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
| SMILES | CCC(C)C(=O)O |
| Storage condition | 0-6°C |
| Water Solubility | 45 g/L (20 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302 + H312-H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive |
| Risk Phrases | R21/22;R34 |
| Safety Phrases | S26-S36/37/39-S45 |
| RIDADR | UN 3265 |
| WGK Germany | 1 |
| RTECS | EK7897000 |
| Packaging Group | III |
| Hazard Class | 8.0 |
| HS Code | 29156090 |
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 8 | |
|---|---|
| DownStream 9 | |
CAS#:80-59-1
CAS#:137-32-6
CAS#:201230-82-2
CAS#:106-97-8
CAS#:107-92-6
CAS#:74-88-4
CAS#:565-63-9
CAS#:18936-17-9
CAS#:31023-25-3
CAS#:3739-30-8
CAS#:534-00-9
CAS#:103-82-2
CAS#:25570-03-0
CAS#:19549-79-2
CAS#:20754-04-5
CAS#:1730-91-2
CAS#:106-98-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 29156090 |
|---|
This table lists relevant public references with title, journal and publication metadata for this compound.
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Combined effects of nutrients and temperature on the production of fermentative aromas by Saccharomyces cerevisiae during wine fermentation.
Appl. Microbiol. Biotechnol. 99(5) , 2291-304, (2015) Volatile compounds produced by yeast during fermentation greatly influence the organoleptic qualities of wine. We developed a model to predict the combined effects of initial nitrogen and phytosterol ... |
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GC/MS method for determining carbon isotope enrichment and concentration of underivatized short-chain fatty acids by direct aqueous solution injection of biogas digester samples.
Talanta 143 , 56-63, (2015) In anaerobic digestion of organic matter, several metabolic pathways are involved during the simultaneous production and consumption of short-chain fatty acids (SCFA) in general and acetate in particu... |
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Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members.
J. Biol. Chem. 282 , 23841-53, (2007) Organic anion transporters (OATs, SLC22) interact with a remarkably diverse array of endogenous and exogenous organic anions. However, little is known about the structural features that determine thei... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Methyl butyric acid |
| .α.-Methylbutyric acid |
| DL-2-Methylbutyric Acid |
| MFCD00002669 |
| QVY2&1 |
| 2-Methylbutyric acid |
| EINECS 204-145-2 |
| UNII:PX7ZNN5GXK |
| (±)-2-Methylbutyric acid |
| 2-Methylbutanoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-methylbutyric acid? |
| A: Polar surface area (PSA) of 2-methylbutyric acid is 37.30000. |
| Q: What is the CAS number of 2-methylbutyric acid? |
| A: CAS number of 2-methylbutyric acid is 116-53-0. |
| Q: What is the LogP of 2-methylbutyric acid? |
| A: LogP of 2-methylbutyric acid is 1.13. |
| Q: What English synonyms does 2-methylbutyric acid have? |
| A: English synonyms of 2-methylbutyric acid: 2-Methyl butyric acid, .α.-Methylbutyric acid, DL-2-Methylbutyric Acid, MFCD00002669, QVY2&1, 2-Methylbutyric acid, EINECS 204-145-2, UNII:PX7ZNN5GXK, (±)-2-Methylbutyric acid, 2-Methylbutanoic acid. |
| Q: What is the safety information for 2-methylbutyric acid? |
| A: Safety information for 2-methylbutyric acid: S26-S36/37/39-S45. |
| Q: What is the melting point of 2-methylbutyric acid? |
| A: Melting point of 2-methylbutyric acid is -70ºC. |
| Q: What are the upstream materials of 2-methylbutyric acid? |
| A: Related upstream materials(CAS) of 2-methylbutyric acid: 80-59-1;137-32-6;201230-82-2;106-97-8;107-92-6;74-88-4;565-63-9;18936-17-9. |
| Q: What is the InChIKey of 2-methylbutyric acid? |
| A: InChIKey of 2-methylbutyric acid is WLAMNBDJUVNPJU-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 2-methylbutyric acid? |
| A: Molecular formula of 2-methylbutyric acid is C5H10O2. |
| Q: What is the molecular weight of 2-methylbutyric acid? |
| A: Molecular weight of 2-methylbutyric acid is 102.132. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |
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- Shanghai Nianxing Industrial Co., Ltd
- China
- Product Name: 2-Methylbutyric acid
- Price: Check
- Purity: 98.0%
- Delivery: 10 Day
- Contact: Yang
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- Dayang Chem (Hangzhou) Co., Ltd.
- China
- Product Name: 2-Methyl butyric acid
- Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
- Purity: 98.0%
- Delivery: Inquiry
- Contact: Ms Wang
- Email: enquiry@dycnchem.com
- Henan Tianfu Chemical Co., Ltd.
- China
- Product Name: 2-Methyl butyric acid 116-53-0
- Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
- Purity: 99.0%
- Delivery: Inquiry
- Contact: Anson
- Email: info@tianfuchem.com
- Zhongshan Xingrui Chemical Co. , Ltd.
- China
- Product Name: 2-Methylbutyric acid
- Price: ￥Inquiry/1000kg
- Purity: 99.0%
- Delivery: 2 Day
- Contact: Wang Jie
- Email: 3096638339@qq.com
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