7-메틸-1,4-DIOXA-SPIRO[4.5]DECAN-8-ONE

7-Methyl-1,4-dioxaspiro[4.5]decan-8-one

HCID 270628

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 702-69-2
표준 SMILES: CC1CC2(CCC1=O)OCCO2
InChIKey: AFCOTJOAYFEMMV-UHFFFAOYSA-N
분자식: C9H14O3
평균 분자량: 170.21 g/mol
단동위원소 질량: 170.0942943

이름 및 식별자

우선 이름: 7-Methyl-1,4-dioxaspiro[4.5]decan-8-one
IUPAC: 7-methyl-1,4-dioxaspiro[4.5]decan-8-one
현지명: 7-메틸-1,4-DIOXA-SPIRO[4.5]DECAN-8-ONE
영어명: 7-METHYL-1,4-DIOXA-SPIRO[4.5]DECAN-8-ONE
분자식: C9H14O3
분자량: 170.21

이름 및 동의어

7-methyl-1,4-dioxaspiro[4.5]decan-8-oneDTXSID702970217-Methyl-1,4-dioxaspiro(4.5)decan-8-oneRefChem:546758DTXCID10248158857-891-1702-69-27-methyl-1,4-dioxa-spiro[4.5]decan-8-oneMFCD131899571,4-Dioxaspiro[4.5]decan-8-one, 7-methyl-NSC113128SCHEMBL1187321

이름 더 보기

7-메틸-1,4-DIOXA-SPIRO[4.5]DECAN-8-ONE112530NSC 1131284,4-(Ethylenedioxy)-2-methylcyclohexanone)-4,4-Ethylenedioxy-2-methylcyclohexanone5,5-Ethylenedioxy-1-methylcyclohexan-2-one

CS-B1179AKOS015999869NSC-113128AB69465DS-17949SY0334714,4-ethylenedioxy-2-methyl-1-cyclohexanoneDB-333780

데이터베이스 식별자

CAS: 702-69-2
PubChem CID: 270628
DTXSID: DTXSID70297021
EC Number: 857-891-1
Nikkaji: J1.295.108F

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 194

물리화학적 성질

끓는 점: 98 · 98-100℃ (4 Torr)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C9H14O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h7H,2-6H2,1H3
InChIKey: AFCOTJOAYFEMMV-UHFFFAOYSA-N
SMILES: O1C2(CCC(=O)C(C)C2)OCC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.