5-벤질록시-1-펜타놀

5-(Benzyloxy)pentan-1-ol

HCID 221194

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4541-15-5
표준 SMILES: OCCCCCOCc1ccccc1
InChIKey: RZVDPWSEPVHOPU-UHFFFAOYSA-N
분자식: C12H18O2
평균 분자량: 194.27 g/mol
단동위원소 질량: 194.13067982

이름 및 식별자

우선 이름: 5-(Benzyloxy)pentan-1-ol
IUPAC: 5-phenylmethoxypentan-1-ol
현지명: 5-벤질록시-1-펜타놀
영어명: 5-BENZYLOXY-1-PENTANOL
분자식: C12H18O2
분자량: 194.27

이름 및 동의어

5-(Benzyloxy)pentan-1-olRefChem:530779625-000-34541-15-55-Benzyloxy-1-pentanol5-benzyloxypentanol5-phenylmethoxypentan-1-ol1-Pentanol, 5-(benzyloxy)-1-Pentanol, 5-(phenylmethoxy)-5-benzyloxypentan-1-ol5-benzyloxy-pentan-1-olMFCD00216583

이름 더 보기

5-벤질록시-1-펜타놀ENZYLOXY-1-PENTANOL5-(Benzyloxy)-1-pentanenol5-Benzyloxy-1-pentanol 95%5-(phenylmethoxy)pentan-1-ol1-Pentanol,5-(phenylMethoxy)-

5-phenylmethoxypentanolNSC54225-(Benzyloxy)-1-pentanol5-[(Benzyl-4-D)oxy]-1-pentanol7-phenyl-6-oxaheptan-1-olNSC-5422DS-1133410.14272/RZVDPWSEPVHOPU-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 4541-15-5
PubChem CID: 221194
DTXSID: DTXSID90277966
EC Number: 625-000-3
Nikkaji: J117.517C

물성

구조 계산 물성

XLogP: 2
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 7
무거운 원자 수: 14
형식 전하: 0
복잡도: 119

물리화학적 성질

끓는 점: 140 °C/0.4 · 140 °C/0.4 mmHg (lit.)
밀도: 1.008 g/mL · 1.008 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.505(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 15.15 · 15.15±0.10(Predicted)
Specific Gravity: 1.008 · 1.008
InChI: InChI=1S/C12H18O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey: RZVDPWSEPVHOPU-UHFFFAOYSA-N
SMILES: C(O)CCCCOCC1=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2909498090
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

용도5-Benzyloxy-1-pentanol (5-(benzyloxy)pentan-1-ol) may be used as a starting material in the synthesis of 5-benzyloxypentanal and (±)tanikolide.

일반 설명5-Benzyloxy-1-pentanol (5-(benzyloxy)pentan-1-ol) has been synthesized by reacting pentane-1,5-diol with benzyl chloride. Its enthalpy of vaporization at boiling point has been determined.