CAS 1638-22-8 4-Butylphenol (HCID 15420)

이름 및 식별자

우선 이름: 4-Butylphenol
IUPAC: 4-butylphenol
영어명: 4-Butylphenol
분자식: C10H14O
분자량: 150.22

이름 및 동의어

4-Butylphenol4-n-Butylphenolp-ButylphenolPhenol, 4-butyl-Phenol, p-butyl-1-Hydroxy-4-n-butylbenzenep-n-ButylphenolPhenol, p-butylNSC 407848DTXSID30474251-(p-Hydroxyphenyl)butaneEINECS 216-672-5

이름 더 보기

butylphenol4PO4-butyl-phenophenol,p-butylPhenol,p-butyl-Phenol,4-butyl-

BRN 20421204-(BUT-1-YL)PHENOLUNII-22985E4F3QAI3-22444P-(N-BUTYL)PHENOL22985E4F3QNSC-407848DTXCID1027425

데이터베이스 식별자

CAS: 1638-22-8
PubChem CID: 15420
DTXSID: DTXSID3047425
ChEMBL: CHEMBL152295
ChEBI: CHEBI:34437
UNII: 22985E4F3Q
EC Number: 216-672-5
Nikkaji: J13.056G

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 93

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1360.6；1361.8；1364.4；1335；1386

2360

Collision Cross Section140.6 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3047425]

물리화학적 성질

녹는점: 22 °C · 22°C
끓는 점: 138 · 138-139°C 18mm
밀도: 0 · 0,98 g/cm3
굴절률: 1.517 · 1.5170
인화점: 245 °C · 245°C
저장 조건: RT, stored under nitrogen
산도 계수 (pKa): 10.11 · 10.11±0.13(Predicted)
물리적 상태: 투명한 액체
색상: 무색~갈색
수용성: 물과 섞이지 않습니다.
BRN: 2042120 · 2042120
InChI: InChI=1S/C10H14O/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8,11H,2-4H2,1H3
InChIKey: CYYZDBDROVLTJU-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(CCCC)C=C1
NIST: 4 · Phenol, 4-butyl-(1638-22-8)
EPA: p-Butylphenol (1638-22-8)

화학적 성질

liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (30.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (28.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 135 reports by companies from 7 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-butyl-

Other Safety InformationEvaluation - Propyl and butyl phenols

Hazard Classes and CategoriesAcute Tox. 4 (30.4%)；Skin Corr. 1B (100%)；Eye Dam. 1 (28.1%)

규제 정보

Regulatory InformationChemical: Phenol, 4-butyl-

안전 데이터

wgk: WGK 3
tsca: TSCA listed
rtecs: SJ8922500
ridadr: 3145
HS 번호: 2907199090
risk_code: 20/21/22-36/37/38-41-34-22
hazard_code: C,Xn
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

약리 정보

Metabolism/Metabolites4-n-Butylphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-butylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.