2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro(4.5)decan

HCID 14326294

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 118135-28-7
표준 SMILES: CC(C)(C)C1CCC2(CC1)OCC(CCl)O2
InChIKey: KIXLXDKXQXRUSB-UHFFFAOYSA-N
분자식: C13H23ClO2
평균 분자량: 246.77 g/mol
단동위원소 질량: 246.13865766

이름 및 식별자

우선 이름: 2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro(4.5)decan
IUPAC: 8-tert-butyl-3-(chloromethyl)-1,4-dioxaspiro[4.5]decane
영어명: 2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decan
분자식: C13H23ClO2
분자량: 246.77

이름 및 동의어

DTXSID601010218EC 601-507-52-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro(4.5)decan2-Chlormethyl-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decanRefChem:468198DTXCID301436627601-507-5118135-28-78-tert-butyl-3-(chloromethyl)-1,4-dioxaspiro[4.5]decane8-(tert-butyl)-2-(chloromethyl)-1,4-dioxaspiro[4.5]decane8-t-Butyl-2-chloromethyl-1,4-dioxaspiro[4.5]decaneSCHEMBL8798930

이름 더 보기

1,4-Dioxaspiro[4.5]decane, 2-(chloromethyl)-8-(1,1-dimethylethyl)-

KIXLXDKXQXRUSB-UHFFFAOYSA-N8-TERT-BUTYL-2-(CHLOROMETHYL)-1,4-DIOXASPIRO[4.5]DECANEAKOS021093416NS000023828-t-butyl-2-chloromethyl-1,4-dioxaspiro(4,5)decane2-(Chloromethyl)-8-(1,1-dimethylethyl)-1,4-dioxaspiro[4.5]decane

데이터베이스 식별자

CAS: 118135-28-7
PubChem CID: 14326294
DTXSID: DTXSID601010218
EC Number: 601-507-5

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 239

물리화학적 성질

끓는 점: 295.6 ℃ · 295.6℃ at 101.3kPa
밀도: 1.07 g/cm3 · 1.07g/cm3 at 20℃
증기압: 0.13 · 0.13-3Pa at 20-50℃
용해도: 에틸 아세테이트에 용해됨
물리적 상태: 기름
색상: 무색의
LogP: 4.43 · 4.43-4.49 at 20℃ and pH4-9

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.