Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Phenethyl anthranilate
FEMA 2859 · 2-Phenylethyl 2-aminobenzoate · Phenethylanthranilat · PHENETHYL ANTHRANILATE · 2-Phenethyl anthranilate · PHENYL ETHYL ANTHRANILATE · benzylcarbinylanthranilate · B-PHENYLETHYL ANTHRANILATE
식별자 및 물리적 특성
| CAS No. | 133-18-6 |
|---|---|
| 분자식 | C15H15NO2 |
| 평균 분자량 | 241.28 g/mol |
| 단동위원소 질량 | 241.11027872 g/mol |
| SMILES | Nc1ccccc1C(=O)OCCc1ccccc1 |
| InChIKey | PXWNBAGCFUDYBE-UHFFFAOYSA-N |
| PubChem CID | 8615 |
| ChEMBL | CHEMBL1488668 |
| ChEBI | CHEBI:191913 |
| EC No. | 205-098-0 |
| DTXSID | DTXSID5025861 |
화학 및 물리적 성질
| XLogP | 4.2 |
|---|---|
| 극성 표면적 | 52.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 261 |
| 향료 | Fragrance Ingredient (Phenylethyl anthranilate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.14 at 77 °F (NTP, 1992) - Denser than waterwill sink1.0944 (rough estimate) |
| 향미제 | EU Flavoring substances |
| 용해도 | Insoluble (<1 mg/ml at 68.0 °F) (NTP, 1992)Insoluble in waterSoluble (in ethanol)Insoluble in water, soluble in alcohol and oils. |
| 녹는점 | 42 °C39-44 °C(lit.) |
| Physical Description | Phenethyl anthranilate is a colorless solid with an odor of grape and orange. Insoluble in water. (NTP, 1992)Fused, colourless to pale yellow-amber crystaline massNeroli, grape undertone |
| 끓는 점 | 226 °C(lit.) |
| 굴절률 | 1.5200 (estimate) |
| FEMA | 2859 | PHENYLETHYL ANTHRANILATE |
| 인화점 | >230 °F |
| pKa(산도 계수) | 2.16±0.10(Predicted) |
| 비중 | 1.14 (liquid) |
| 색상 | 흰색에서 노란색 결정 |
| 냄새 | 포도 냄새 |
| 향취 유형 | 꽃향기 |
| JECFA Number | 1543 |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 4.06 |
| EPA | 2-Phenylethyl anthranilate (133-18-6) |
화학적 성질
Pure phenethyl anthranilate is almost odorless. With other materials, it has a characteristic odor reminiscent of neroli and grapefruit odor with a sweet, grape and orange undertone. It has low stablility.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 69.8% (90 of 129) of all reports.WarningH315 (30.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 129 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzoic acid, 2-amino-, 2-phenylethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzoic acid, 2-amino-, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzoic acid, 2-amino-, 2-phenylethyl ester: Human health tier I assessment |
| 운송 라벨(DOT) | Class 9 |
| 화재 위험 | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: May cause skin irritation. |
| 반응성 그룹 | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Profile | PHENETHYL ANTHRANILATE forms salts readily with acids. Hydrolyzes under alkaline pH conditions. (NTP, 1992). |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (30.2%) |
| 소화 | Fires involving this compound may be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CB3720000 |
| 운송 번호(UN) | UN 3077 9/PG 3 |
| 독성 | skn-rbt 500 mg/24H MOD FCTXAV 14,659,76 |
| 위험 문구(R) | 36/37/38-50/53 |
| 위험 표시 | Xi,N |
| 안전 문구(S) | 26-37/39-60-61 |
용도
출처
Has apparently not been reported to occur in nature.
용도
Phenylethyl Anthranilate is a synthetic flavoring agent that is a stable, white to yellow crystal of grape and orange blossom odor. It should be stored in glass or polyethylene-lined containers. It is used for flavors such as grape and cherry in applications such as beverages, ice cream, candy, and baked goods at 2–6 ppm.
일반 설명
Colorless solid with an odor of grape and orange. Insoluble in water.
제조 및 합성 방법
제조 방법
By direct esterification of anthranilic acid with phenylethyl alcohol; pure material from phenylethyl alcohol plus isatoic anhydride; also from phenylethyl alcohol and methylanthranilate.