페닐초산
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페닐초산 속성
- 녹는점
- 76-78 °C(lit.)
- 끓는 점
- 265 °C(lit.)
- 밀도
- 1.081 g/mL at 25 °C(lit.)
- 증기 밀도
- ~4 (vs air)
- 증기압
- 1 mm Hg ( 97 °C)
- 굴절률
- 1.5120 (estimate)
- 인화점
- 132°C
- 저장 조건
- Store at RT.
- 용해도
- DMF: 1 mg/ml; PBS (pH 7.2): 10 mg/ml
- 산도 계수 (pKa)
- 4.28(at 18℃)
- Specific Gravity
- 1.081
- 색상
- 진공증류 후 플레이크 형태로 존재; 석유 에테르에서 플레이크로 형성
- 냄새
- 불쾌한 제라늄 냄새
- 수소이온지수(pH)
- 3.7(1 mM solution);3.17(10 mM solution);2.66(100 mM solution)
- ?? ??
- 꿀
- 수용성
- 15 g/L (20 ºC)
- Merck
- 14,7268
- JECFA Number
- 1007
- BRN
- 1099647
- Dielectric constant
- 3.0(20℃)
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- LogP
- 0.811 at 25℃
- CAS 데이터베이스
- 103-82-2(CAS DataBase Reference)
안전
- 위험 및 안전 성명
- 위험 및 사전주의 사항 (GHS)
위험품 표기 | Xi | ||
---|---|---|---|
위험 카페고리 넘버 | 36/37/38 | ||
안전지침서 | 26-36-37/39 | ||
유엔번호(UN No.) | UN 3335 | ||
WGK 독일 | 1 | ||
RTECS 번호 | AJ2430000 | ||
F 고인화성물질 | 13 | ||
TSCA | Yes | ||
HS 번호 | 29163400 | ||
유해 물질 데이터 | 103-82-2(Hazardous Substances Data) | ||
독성 | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg | ||
기존화학 물질 | KE-28266 |
페닐초산 C화학적 특성, 용도, 생산
화학적 성질
Phenylacetic Acid occurs in Japanese peppermint oil, in neroli oil, and in traces in rose oils. It is a volatile aroma constituent of many foods (e.g., honey). It forms colorless crystals (mp 78°C) that have a honey odor.The common route to phenylacetic acid is conversion of benzyl chloride into benzyl cyanide by reaction with sodium cyanide, followed by hydrolysis. Because of its intense odor, phenylacetic acid is added to perfumes in small quantities for rounding off blossom odors. Addition to fruit aromas imparts a sweet honey note.
출처
Reported found among the constituents of a few essential oils: tobacco, Rosa centifolia, Bulgarian rose, orange flowers absolute, neroli and Mentha arvensis of Japanese origin; also reported present among the volatile constituents of cocoa. Also reported found in guava, papaya, raspberry, strawberry, cooked potato, tomato, peppermint oil, pepper, rye bread, cheddar cheese, Swiss cheese, Gruyere cheese, boiled mutton, beer, cognac, cider, sherry, grape wines, white wine, sake, cocoa, tea, honey soy protein, passion fruit, starfruit, mango, mushroom, malt, wort, roasted chicory root, naranjilla fruit, choke berry, sea buckthorn and Chinese quince.용도
Phenylacetic Acid is used in the synthesis of Diclofenac (D436450) and its metabolite 4'-Hydroxydiclofenac (H825225), which is the principal human metabolite of Diclofenac.정의
ChEBI: A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.제조 방법
By the treatment of benzyl cyanide with dilute sulfuric acid and other processes.Safety Profile
Moderately toxic by ingestion, subcutaneous, and intraperitoneal routes. An experimental teratogen. Combustible liquid. Used in production of drugs of abuse. When heated to decomposition it emits acrid smoke and irritating fumes신진 대사
Phenylacetic acid is conjugated in man and the chimpanzee, but probably in no other species, with glutamine. In most other animals, except the hen, it behaves like benzoic acid, forming glycine and glucuronic acid conjugates. In the hen, it conjugates with ornithine, forming phenacetornithuric acid. Phenacetylglutamine and its addition compound with urea were isolated from human urine alter the administration of phenylacetic acid (Williams, 1959).Purification Methods
Crystallise the acid from pet ether (b 40-60o), isopropyl alcohol, 50% aqueous EtOH or hot water (m 77.8-78.2o). Dry it in vacuo. It can be distilled under a vacuum. [Beilstein 9 II 294, 9 III 2169.]페닐초산 준비 용품 및 원자재
원자재
준비 용품
p-Tolyl phenylacetate
에틸알파-클로로페닐아세테이트
다이파시논(디파시논)
7-이소프로폭시-3-페닐-4H-1-벤조피란-4-원
Isopentyl phenylacetate
Cefaclor monohydrate
1-프로판아민,3-(10,11-다이하이드로-5H-다이벤조(a,d)사이클로헵텐-5-일리덴)-N,N-다이메틸-,하이드로클로라이드
Methyl phenylacetate
7-HYDROXYISOFLAVONE
2-Phenylacetamide
Phenylacetic acid isobutyl ester
2-펜에틸벤조익 산
Phenethyl phenylacetate
Phenylacetone
페니실린 G 칼륨
BUTYL PHENYLACETATE
알릴페닐아세테이트
Rofecoxib
Cyproheptadine hydrochloride sesquihydrate
에틸 페닐아세트산
2-PHENYL-ETHANESULFONYL CHLORIDE
2-(메틸설파닐)-5-페닐피리미딘
페닐초산클로라이드
페닐 아세트알데히드
Tamoxifen citrate
프로피오페논
페니실린 감마-일라디산염 세포
2-PHENYLPROPIONIC ACID
3-벤질아이덴나프탈라이드
4-아미노살리실 산
펜토에이트