1,4-DIOXASPIRO[4.5]DECAN-8-YL메탄술폰산염

1,4-Dioxaspiro(4.5)decan-8-yl methanesulfonate

HCID 14966741CAS 141120-33-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CS(=O)(=O)OC1CCC2(CC1)OCCO2
InChIKey: XSLHQJJTBVYMJX-UHFFFAOYSA-N
분자식: C9H16O5S
평균 분자량: 236.29 g/mol
단동위원소 질량: 236.07184478

이름 및 식별자

우선 이름: 1,4-Dioxaspiro(4.5)decan-8-yl methanesulfonate
IUPAC: 1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate
현지명: 1,4-DIOXASPIRO[4.5]DECAN-8-YL메탄술폰산염
영어명: 1,4-DIOXASPIRO[4.5]DECAN-8-YL METHANESULFONATE
분자식: C9H16O5S
분자량: 236.29

이름 및 동의어

141120-33-41,4-dioxaspiro[4.5]decan-8-yl methanesulfonateDTXSID605661971,4-Dioxaspiro(4.5)decan-8-yl methanesulfonateRefChem:220762DTXCID80516972967-670-21,4-Dioxa-spiro[4.5]dec-8-yl methanesulfonateMFCD09953114C9H16O5Smethanesulfonic acid 1,4-dioxaspiro[4.5]decan-8-yl esterAB3686

이름 더 보기

1,4-DIOXASPIRO[4.5]DECAN-8-YL메탄술폰산염INTER41,4-Dioxa-spiro[4.5]dec-8-yl metha1,4-Dioxaspiro[4.5]dec-8-yl methanesulfonate8-methylsulfonyloxy-1,4-dioxaspiro[4.5]decane1,4-Dioxaspiro[4.5]decan-8-ol, 8-methanesulfonate1,4-Dioxa-spiro[4.5]dec-8-yl methanesulfonate, 98%

SCHEMBL101485XSLHQJJTBVYMJX-UHFFFAOYSA-NRFA12033AKOS015996053AS-44727SY066006DS-016092CS-0208021

데이터베이스 식별자

CAS: 141120-33-4
PubChem CID: 14966741
DTXSID: DTXSID60566197
EC Number: 967-670-2

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 70.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 302

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.