Butyl phenyl ether (HCID 14311)

이름 및 식별자

우선 이름: Butyl phenyl ether
IUPAC: butoxybenzene
현지명: 뷰틸 페닐 에터
영어명: Butoxybenzene
분자식: C10H14O
분자량: 150.22

이름 및 동의어

Butoxybenzene1126-79-0BUTYL PHENYL ETHERn-Butyl phenyl etherBenzene, butoxy-n-ButoxybenzeneButoxyphenyl1-PhenoxybutaneNSC 8467EINECS 214-426-1BRN 1635559BUTYLOXYBENZENE

이름 더 보기

부틸페놀뷰틸페닐에터뷰틸 페닐 에터butoxy-benzenbutyl phenolate

phenyl n-butyl etherUNII-H804A5426KAI3-00446NSC-8467H804A5426KN-BUTYL-PHENYL-ETHERDTXSID00221494-06-00-00558 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS: 1126-79-0
PubChem CID: 14311
DTXSID: DTXSID0022149
UNII: H804A5426K
EC Number: 214-426-1
Nikkaji: J43.445K

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 84.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid

물리화학적 성질

녹는점: 19 °C · −19 °C(lit.)
끓는 점: 210.3 °C · 210.3 °C(lit.)
밀도: 0.935 g/mL · 0.935 g/mL at 25 °C(lit.)
증기압: 84 Pa · 84Pa at 25℃
굴절률: 20 · n20/D 1.497(lit.)
인화점: 180 °F · 180 °F
저장 조건: Store at room temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 0.935 · 0.935
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 아니스 감초
냄새 유형: 감초
수용성: 36.6 mg/L · 36.6mg/L at 20℃
BRN: 1635559 · 1635559
Dielectric constant: 3.73 · 3.73
InChI: 1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKey: YFNONBGXNFCTMM-UHFFFAOYSA-N
SMILES: CCCCOc1ccccc1
LogP: 4.26 at · 4.26 at 30℃
NIST: Butoxybenzene(1126-79-0)
EPA: Benzene, butoxy- (1126-79-0)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, butoxy-

Benzene, butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, butoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: N-butyl phenyl ether (EC: 214-426-1)

Peroxide Forming Chemical · 3건

n-Butyl phenyl ether

D: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: KN5300000
ridadr: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
독성: mouse,LD50,oral,3200mg/kg (3200mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: EXCITEMENTBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.
HS 번호: 29093090
risk_code: 51/53
hazard_code: N
safety_code: 24/25-61
위험 등급: 9
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesFuel agents

General Manufacturing Information · 2건

All other Petroleum and Coal Products Manufacturing

Benzene, butoxy-: ACTIVE

응용 분야

용도Butyl phenyl ether was used as model compound to study the transformation of human pharmaceuticals detected in water during chlorine disinfection. It was used in the synthesis of amino acids with aryl-keto function in their side-chains.