3,3,5,5-테트라메틸사이클로헥사논

3,3,5,5-Tetramethylcyclohexanone

HCID 84399CAS 14376-79-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CC(=O)CC(C)(C)C1
InChIKey: OQJMHUOCLRCSED-UHFFFAOYSA-N
분자식: C10H18O
평균 분자량: 154.25 g/mol
단동위원소 질량: 154.13576519

이름 및 식별자

우선 이름: 3,3,5,5-Tetramethylcyclohexanone
IUPAC: 3,3,5,5-tetramethylcyclohexan-1-one
현지명: 3,3,5,5-테트라메틸사이클로헥사논
영어명: 3,3,5,5-TETRAMETHYLCYCLOHEXANONE
분자식: C10H18O
분자량: 154.25

이름 및 동의어

3,3,5,5-Tetramethylcyclohexanone14376-79-5Cyclohexanone, 3,3,5,5-tetramethyl-EINECS 238-350-3DTXSID20162538NSC 91511RefChem:90750DTXCID1085029238-350-3InChI=1/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4HOQJMHUOCLRCSED-UHFFFAOYSA-N3,3,5,5-tetramethylcyclohexan-1-one

이름 더 보기

3,3,5,5-테트라메틸사이클로헥사논3,3,5,5-Tetramethyl-1-cyclohexanone3,3,5,5-tetramethylcyclohexylone3,3,5,5-TetraMethylcyclohexanone 98%3,3,5,5-Tetramethylcyclohexanone,98%

MFCD000016403,3,5,5-Tetramethyl cyclohexanone3,3,5,5-tetramethyl-cyclohexanoneNSC91511NSC 91511;Cyclohexanone,3,3,5,5-tetramethyl-SCHEMBL638075SCHEMBL8051733

데이터베이스 식별자

CAS: 14376-79-5
PubChem CID: 84399
DTXSID: DTXSID20162538
EC Number: 238-350-3
Nikkaji: J142.889F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 159

물리화학적 성질

녹는점: 11 · 11-12 °C
끓는 점: 200 · 200-203 °C
밀도: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.451(lit.)
인화점: 164 °F · 164 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색투명~미황색
BRN: 1237421 · 1237421
InChI: 1S/C10H18O/c1-9(2)5-8(11)6-10(3,4)7-9/h5-7H2,1-4H3
InChIKey: OQJMHUOCLRCSED-UHFFFAOYSA-N
SMILES: CC1(C)CC(=O)CC(C)(C)C1

화학적 성질

Clear colorless to slightly yellow 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 (50%): 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 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.