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4-히드록시벤질 알콜

4-Hydroxybenzyl Alcohol

HCID 125
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
623-05-2
표준 SMILES
OCc1ccc(O)cc1
InChIKey
BVJSUAQZOZWCKN-UHFFFAOYSA-N
분자식
C7H8O2
평균 분자량
124.14 g/mol
단동위원소 질량
124.0524295

개요

P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of benzyl alcohols and a member of phenols.

이름 및 식별자

우선 이름
4-Hydroxybenzyl Alcohol
IUPAC
4-(hydroxymethyl)phenol
현지명
4-히드록시벤질 알콜
영어명
4-Hydroxybenzyl alcohol
분자식
C7H8O2
분자량
124.14

이름 및 동의어

4-hydroxybenzyl alcohol623-05-24-(Hydroxymethyl)phenolp-Hydroxybenzyl alcoholp-Methylolphenol4-Hydroxybenzenemethanol4-MethylolphenolBenzenemethanol, 4-hydroxy-p-(Hydroxymethyl)phenolGastrodigeninalpha-Hydroxy-p-cresolParahydroxybenzyl Alcohol
이름 더 보기
4-하이드록시벤질알코올4-히드록시벤질알콜4-하이드록시벤질알코올(4-HYDROXYBENZYLALCOHOL)하이드록시벤질알코올4-하이드록시벤질 알코올4-하이드록시벤질알콜4-hydroxyphenyl Methanolp-HydroxybenzylP-hydroxylbenzyl alcohol4-Hydroxybenzylic Alcohol4-Hydroxybenzyl alcohol, 97% 25GR
DTXSID8073920(4-Hydroxyphenyl)methanol1A3AH1FP1Bhydroxybenzyl alcoholNSC-227926FEMA NO. 3987CHEBI:674104-methylol phenol

데이터베이스 식별자

CAS
623-05-2
PubChem CID
125
DTXSID
DTXSID8073920
ChEMBL
CHEMBL202132
ChEBI
CHEBI:67410
UNII
1A3AH1FP1B
EC Number
210-768-0
Nikkaji
J6.843H

물성

구조 계산 물성보충 중

XLogP
0.2
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
9
형식 전하
0
복잡도
75

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols
LogP · 2건

0.25

0.48

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 3건

6700 mg/L @ 20 °C (exp)

slightly soluble in water; soluble in organic solvents

soluble (in ethanol)

Boiling Point252.00 °C. @ 760.00 mm Hg
Melting Point124.5 °C
Vapor Pressure0.000825 [mmHg]
Physical Description · 3건

White to cream crystalline powder; [Alfa Aesar MSDS]

Solid

White crystalline powder; slightly fruity-sweet coconut odour

물리화학적 성질

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 12.1% (24 of 198) of reports.

Warning

H315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 198 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzenemethanol, 4-hydroxy-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 19-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27142

Benzenemethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Causes other degenerative changes to brain and effects on other enzymes in acute intraperitoneal studies of mice; Human dermal administration causes allergic dermatitis and cutaneous sensitization in 2-day studies; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (27.3%)

독성 정보

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

안전 데이터

화학 및 산업

약리 정보

Metabolism/Metabolites4-Hydroxybenzyl alcohol is a known human metabolite of 4-Methylphenol.

용도 및 제조

UsesUsed as a flavoring agent; [FDA]
Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야 · 3건

출처Reportedly found in vanilla, Bourbon (Vanilla plantifolia Andrew

용도4-Hydroxybenzyl alcohol is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

일반 설명4-Hydroxybenzyl alcohol (HBA) is a phenolic compound found in Gastrodia elata. It is as an antioxidant and anti-asthmatic agent.

제조 방법

Prepared from p-cresol by using the microorganism, Pseudomonas putida.

상·하류 제품 정보

상류 원료

Deferasirox칼륨트리메틸아세테이트나트륨 부티르산

하류 제품

4-히드록시벤즈알데히드

관련 반응

210건
반응 기록 만들기
HRID 25000 반응식
HRID 25000반응물로uspto-grants-2005_02
HRID 28315 반응식
HRID 28315반응물로uspto-grants-2008_09
HRID 29733 반응식
HRID 29733반응물로uspto-grants-2008_09
HRID 34408 반응식
HRID 34408반응물로uspto-grants-1988_08
HRID 39256 반응식
HRID 39256반응물로uspto-grants-2013_09
HRID 54532 반응식
HRID 54532반응물로uspto-grants-1997_04
HRID 91603 반응식
HRID 91603반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 132976 반응식
HRID 132976반응물로uspto-grants-2008_06
1 / 27 페이지

화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
녹는점
114 · 114-122 °C(lit.)
끓는 점
251 · 251-253°C
밀도
1.1006 · 1.1006 (rough estimate)
굴절률
1.5035 · 1.5035 (estimate)
FEMA
3987 · 3987 | 4-HYDROXYBENZYL ALCOHOL
인화점
251 · 251-253°C
저장 조건
30 °C · Store below +30°C.
용해도
6.7 g/l · 6.7g/l 수용성
산도 계수 (pKa)
1 · pK1:9.82 (25°C)
물리적 상태
결정성 분말
색상
핑크에서 베이지까지
냄새
100 %에서 · 100.00%에서. 과일 맛 쓴 아몬드 달콤한 코코넛
냄새 유형
과일 같은
생물학적 소스
synthetic
수용성
물(20°C에서 6.7mg/ml), 디옥산(100mg/ml), 1N NaOH(50mg/ml), DMSO 및 메탄올에 용해됩니다.
JECFA Number
955 · 955
BRN
1858967 · 1858967
주요 응용
향료 및 향
화장품 원료 기능
피부 컨디셔닝
InChI
1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChIKey
BVJSUAQZOZWCKN-UHFFFAOYSA-N
SMILES
OCc1ccc(O)cc1
LogP
0.21 · 0.21
NIST
4 · Benzenemethanol, 4-hydroxy-(623-05-2)
EPA
4 · 4-Hydroxybenzenemethanol (623-05-2)

화학적 성질

4-Hydroxybenzyl alcohol is a white crystalline powder with slightly fruity-sweet coconut odor

wgk
3
rtecs
DA4796800
HS 번호
2907299090
risk_code
36-36/37/38
hazard_code
Xi
safety_code
26-24/25-36
기존화학 물질
2004-3-2924
F 고인화성물질
8-9-23
위험 참고 사항
Irritant/Keep Cold/Air Sensitive/Light Sensitive
Hazard Classifications
Aquatic Chronic 3Eye Irrit. 2
스토리지 클래스
11 - Combustible Solids
4-(브로모메틸)페놀
(4-TERT-부톡시-페닐)-메탄올
4-(2-메틸프로폭시)-벤젠메타민
ACETAGASTRODINE
4-하이드록시-3-니트로벤질알코올
4-[2-(1-AZEPANYL)ETHOXY]벤질클로라이드HCL
페닐초산
p-(2,3-에폭시프로폭시)벤질알코올
2H-1-Benzopyran-6-Methanol, 3,4-dihydro-2-(4-Methyl-1-piperazinyl)-4-phenyl-
추가 설명 · 1건

정의ChEBI: P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a role as a plant metabolite. It is a member of phenols and a member of benzyl alcohols.