p-아니식애씨드

p-아니식애씨드
p-아니식애씨드 구조식 이미지
카스 번호:
100-09-4
한글명:
p-아니식애씨드
동의어(한글):
p-아니식애씨드
상품명:
4-Methoxybenzoic acid
동의어(영문):
4-Methoxybenzoic acid;ANISIC ACID;4-ANISIC ACID;P-METHOXYBENZOIC ACID;Anisic;4-METHOXYBENZOIC AICD;para-anisic acid;4-Methoxybenzoic;benzoicacid,4-methoxy-;p Acid
CBNumber:
CB6746524
분자식:
C8H8O3
포뮬러 무게:
152.15
MOL 파일:
100-09-4.mol
MSDS 파일:
SDS

p-아니식애씨드 속성

녹는점
182-185 °C(lit.)
끓는 점
275 °C
밀도
1.385
증기압
0.001Pa at 25℃
FEMA
3945 | 4-METHOXYBENZOIC ACID
굴절률
1.571-1.576
인화점
185 °C
저장 조건
Store below +30°C.
용해도
H2O: 용해성2500부
물리적 상태
가루
산도 계수 (pKa)
4.50(at 25℃)
색상
흰색에서 약간 회색-베이지색
수소이온지수(pH)
3-4 (0.3g/l, H2O, 20℃)
냄새
디프로필렌 글리콜 중 10.00%. 희미한 썩은 냄새
?? ??
동물
수용성
20°C에서 물에 용해됨 0.3g/L. 알코올, 에틸 아세테이트 및 에테르에 용해됩니다.
Merck
14,666
JECFA Number
883
BRN
508910
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
InChIKey
ZEYHEAKUIGZSGI-UHFFFAOYSA-N
LogP
1.96
CAS 데이터베이스
100-09-4(CAS DataBase Reference)
NIST
Benzoic acid, 4-methoxy-(100-09-4)
EPA
Benzoic acid, 4-methoxy- (100-09-4)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi,Xn
위험 카페고리 넘버 36/37/38-22
안전지침서 26-36-24/25
WGK 독일 1
RTECS 번호 BZ4395000
자연 발화 온도 185 °C
위험 참고 사항 Irritant
TSCA Yes
HS 번호 29189090
독성 LD50 orally in Rabbit: > 5000 mg/kg
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
H335 호흡 자극성을 일으킬 수 있음 특정 표적장기 독성 - 1회 노출;호흡기계 자극 구분 3 경고 GHS hazard pictograms
예방조치문구:
P261 분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
0
2 0

p-아니식애씨드 MSDS


4-Methoxybenzoic acid

p-아니식애씨드 C화학적 특성, 용도, 생산

개요

P-Anisic acid, also known as 4-Methoxybenzoic acid or draconic acid, is an organic acid that has a sweet flavor. It is one of the isomers of anisic acid, including m-anisic acid and o-anisic acid. The term "anisic acid" often refers to this form specifically. P-anisic acid is produced through the oxidation of p-cresyl-methyl ether.

화학적 성질

It appears as a colorless needle crystal at room temperature. It is soluble in ethanol, ether, and chloroform, and only slightly soluble in hot water. It remains insoluble in cold water. It is used as an intermediate for aniracetam, as well as a preservative and fragrance.

용도

4-Methoxybenzoic acid (p-Anisic acid) is used in oxidation and reduction of cytochrome c in solution through different self-assembled monolayers on gold electrodes using cyclic voltammetry. p-Anisic acid has antiseptic properties. It is also used as an intermediate in the preparation of more complex organic compounds.

제조 방법

To obtain 4-Methoxybenzoic acid, the mole ratio of cobalt and manganese is modified and p-methoxy toluene is reacted with oxygen or an oxygen-containing gas in the presence of acetic acid. The following is the experimental procedure:1. Using n-hexyl bromide, tri (n-hexyl) amine, para-methoxy toluene with cobalt chloride hexahydrate in about 9h;
2. By a catalytic oxidation process using p-methoxy toluene and propionic acid over a catalyst comprising of CoBr2.6H2O and MnBr2.4H2O with a reaction time of 20h;
3. Through changing the mole ratio of cobalt and manganese, using p-methoxy toluene with oxygen or oxygen containing gas in the presence of acetic acid to obtain the product.

정의

ChEBI: 4-methoxybenzoic acid is a methoxybenzoic acid substituted with a methoxy group at position C-4. It has a role as a plant metabolite. It is functionally related to a benzoic acid. It is a conjugate acid of a 4-methoxybenzoate.

일반 설명

4-Methoxybenzoic acid is the sole source of carbon and energy for growth in the cultures of Nocardia sp. DSM 1069. It is effective in clearing congestion in the lungs and the respiratory tracts in conditions like asthma or bronchitis.

Biochem/physiol Actions

The cytochrome P450 enzyme CYP199A4, a heme-dependent cytochrome P450 (CYP) monooxygenase enzyme, can efficiently demethylate 4-methoxybenzoic acid. Mechanistically, O-demethylation of 4-methoxybenzoic acid occurs via hydrogen abstraction by Compound I, followed by oxygen rebound to give the hydroxylated hemiacetal which spontaneously decomposes to yield 4-hydroxybenzoic acid and formaldehyde[5].

Safety Profile

Poison by subcutaneous route.When heated to decomposition it emits acrid smoke andirritating vapors.

Purification Methods

Crystallise p-anisic acid from EtOH, water, EtOH/water or toluene. The S-benzylisothiuronium salt has m 189o (from EtOH). [Beilstein 10 II 91, 10 III 280, 10 IV 346.]

p-아니식애씨드 준비 용품 및 원자재

원자재

준비 용품


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