페닐초산

페닐초산
페닐초산 구조식 이미지
카스 번호:
103-82-2
한글명:
페닐초산
동의어(한글):
페닐아세트산;페닐초산;페닐아세트산;펠비낙;벤젠아세트산
상품명:
Phenylacetic acid
동의어(영문):
2-phenylacetic acid;BENZENEACETIC ACID;phenylacetic;FEMA 2878;PhenylaceticAcidC8H8O2;BENZYLFORMIC ACID;Phenylacetic acid, 98.50%;Toluylicacid;L-PHENYLALAIN;α-Toluic acid
CBNumber:
CB9699850
분자식:
C8H8O2
포뮬러 무게:
136.15
MOL 파일:
103-82-2.mol
MSDS 파일:
SDS

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)
FEMA
2878 | PHENYLACETIC ACID
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)
?? ??
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)
NIST
Benzeneacetic acid(103-82-2)
EPA
Phenylacetic acid (103-82-2)
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
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
예방조치문구:
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
1
0

페닐초산 MSDS


Benzeneacetic acid

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 fumes

신진 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

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