异丁基苯乙酸酯/苯乙酸异丁酯，CAS 登记号 102-13-6，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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Isobutyl phenylacetate is identified by CAS 102-13-6, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII 2QK898564G; ChEBI 179899; InChIKey RJASFPFZACBKBE-UHFFFAOYSA-N. Boiling Point: 247.00 °C. @ 760.00 mm Hg; Boiling Point: 247 °C; Solubility: 93 mg/L @ 20 °C (exp).
| CAS Registry Number | 102-13-6 |
|---|---|
| PubChem CID | 60998 |
| Molecular formula | C12H16O2 |
| Molecular weight | 192.12 g/mol |
| IUPAC name | 2-methylpropyl 2-phenylacetate |
| InChIKey | RJASFPFZACBKBE-UHFFFAOYSA-N |
| UNII (FDA) | 2QK898564G |
| ChEBI ID | CHEBI:179899 |
| FEMA number | 2210 |
| JECFA number | 1013 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Boiling Point | 247.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 247 °C |
| Solubility | 93 mg/L @ 20 °C (exp) |
| Density | 0.984-0.988 |
| Refractive Index | 1.484-1.488 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Honey No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 97.7% (1650 / 1688) |
| GHS notification summary | 97.7% (1650 / 1688) |
|---|
This chemical does not meet GHS hazard criteria for 97.7% (1650 of 1688) of all reports.
Reported as not meeting GHS hazard criteria by 1650 of 1688 companies (only 2.3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Isobutyl phenylacetate; 2-Methylpropyl phenylacetate; BENZENEACETIC ACID, 2-METHYLPROPYL ESTER; Isobutyl phenylethanoate; Phenylacetic acid, isobutyl ester; Isobutyl alpha-toluate; Acetic acid, phenyl-, isobutyl ester; Iphaneine; 2-Methylpropyl benzeneacetate; FEMA No. 2210; Isobutyl .alpha.-toluate; NSC 6602; CCRIS 7324; EINECS 203-007-9; UNII-2QK898564G; AI3-01969
CAS 102-13-6; molecular formula C12H16O2; molecular weight 192.12 g/mol.
Isobutyl phenylacetate, 2-Methylpropyl phenylacetate, BENZENEACETIC ACID, 2-METHYLPROPYL ESTER, Isobutyl phenylethanoate, Phenylacetic acid, isobutyl ester, Isobutyl alpha-toluate.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
97.7% of GHS notifications report no hazard classification (1650 of 1688).
Boiling Point: 247.00 °C. @ 760.00 mm Hg; Boiling Point: 247 °C; Solubility: 93 mg/L @ 20 °C (exp); Density: 0.984-0.988.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.