4-뷰톡시페놀

4-Butoxyphenol

HCID 31233

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 122-94-1
표준 SMILES: CCCCOc1ccc(O)cc1
InChIKey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
분자식: C10H14O2
평균 분자량: 166.22 g/mol
단동위원소 질량: 166.09937969

이름 및 식별자

우선 이름: 4-Butoxyphenol
IUPAC: 4-butoxyphenol
현지명: 4-뷰톡시페놀
영어명: 4-Butoxyphenol
분자식: C10H14O2
분자량: 166.22

이름 및 동의어

4-BUTOXYPHENOL122-94-1Phenol, 4-butoxy-p-ButoxyphenolPhenol, p-butoxy-8188DBS68JNSC-60292DTXSID4059548RefChem:98235DTXCID7033735204-583-4Hydroquinone Monobutyl Ether

이름 더 보기

4-뷰톡시페놀4-N-BUTOXYPHENOLPARA-BUTOXYPHENOL4-butoxy-pheno4-Buthoxy phenol4-BUTYLOXYPHENOL4- isbutylphenol

4-Butoxy-phenolMFCD00002336Hydroquinone Butyl EtherNSC 60292UNII-8188DBS68JEINECS 204-583-4Phenol, 4-?butoxy-4-Butoxyphenol, 98%

데이터베이스 식별자

CAS: 122-94-1
PubChem CID: 31233
DTXSID: DTXSID4059548
ChEMBL: CHEMBL224262
ChEBI: CHEBI:34392
UNII: 8188DBS68J
EC Number: 204-583-4
Nikkaji: J27.317A

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 106

물리화학적 성질

녹는점: 65 · 65-66 °C(lit.)
끓는 점: 165 °C · 165 °C / 2mmHg
밀도: 1.006 · 1.0060 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 아세톤과 에탄올에 용해됩니다.
산도 계수 (pKa): 10.33 · 10.33±0.15(Predicted)
물리적 상태: 고체
색상: 밝은 갈색에서 갈색까지
InChI: InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3
InChIKey: MBGGFXOXUIDRJD-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(OCCCC)C=C1
NIST: P-butoxyphenol(122-94-1)
EPA: 4 · Phenol, 4-butoxy- (122-94-1)

화학적 성질

PALE BROWN TO BROWN CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationChemical: Phenol, 4-butoxy-

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)

규제 정보

Regulatory InformationChemical: Phenol, 4-butoxy-

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2811
HS 번호: 29095000
risk_code: 22-37/38-40-41-43-52/53-42/43-36/37/38-23/24/25-45-R42/43-R36/37/38-R23/24/25-R45
hazard_code: Xn,Xi,T
safety_code: 26-36/37/39-61-53-45-22-S53-S45-S36/37/39-S26-S22-37/39
기존화학 물질: KE-04161
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4-butoxy-: ACTIVE

응용 분야

용도Intermediates of Liquid Crystals

상·하류 제품 정보

상류 원료

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

화합물 노트

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