4-벤질옥시-1-부탄올

4-Benzyloxy-1-butanol

HCID 562212CAS 4541-14-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCCCCOCc1ccccc1
InChIKey: TYROJDFHUXSBHC-UHFFFAOYSA-N
분자식: C11H16O2
평균 분자량: 180.24 g/mol
단동위원소 질량: 180.11502975

이름 및 식별자

우선 이름: 4-Benzyloxy-1-butanol
IUPAC: 4-phenylmethoxybutan-1-ol
현지명: 4-벤질옥시-1-부탄올
영어명: 4-Benzyloxy-1-butanol
분자식: C11H16O2
분자량: 180.24

이름 및 동의어

4-Benzyloxy-1-butanol4541-14-44-benzyloxybutanolDTXSID70340167RefChem:518508DTXCID90291248610-249-24-(Benzyloxy)butan-1-ol4-phenylmethoxybutan-1-ol4-benzyloxybutan-1-ol1-Butanol, 4-(phenylmethoxy)-MFCD00155211

이름 더 보기

4-벤질옥시-1-부탄올4-Benzyloxy-1-butano4-Benzyloxybutane-1-ol4-(Benzyloxy)butane-1-ol4-Benzyloxy-1-butanol 97%4-Benzyloxy-1-butanol,97%4-Benzyloxy-1-butanol, 96 %

4-(Benzyloxy)-1-butanolTetramethylene glycol monobenzyl ether1-Butanol, 4-(benzyloxy)-4-benyloxybutanol4-benzyloxybutyl alcohol4-benzyloxy-butan-1-ol4-(Benzyloxy);butan-1-olSCHEMBL96048

데이터베이스 식별자

CAS: 4541-14-4
PubChem CID: 562212
DTXSID: DTXSID70340167
EC Number: 610-249-2
Nikkaji: J99.563K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 13
형식 전하: 0
복잡도: 109

물리화학적 성질

끓는 점: 216 · 216-256 °C (lit.)
밀도: 1.025 g/mL · 1.025 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.513(lit.)
인화점: 109 °C · 109 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 15.07 · 15.07±0.10(Predicted)
Specific Gravity: 1.025 · 1.025
색상: 무색
BRN: 1944253 · 1944253
InChI: InChI=1S/C11H16O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey: TYROJDFHUXSBHC-UHFFFAOYSA-N
SMILES: C(O)CCCOCC1=CC=CC=C1

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 40 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

안전 데이터

wgk: 3
HS 번호: 29094980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-Benzyloxy-1-butanol may be used for the preparation of ethyl 6-benzyloxy-2-hexenoate, via Swern oxidation and Wadsworth-Emmons olefination. It may be used as starting reagent for the synthesis of 4-(benzyloxy)butanal.

일반 설명4-Benzyloxy-1-butanol can be prepared starting from butane-1,4-diol.