3-운데카논

3-Undecanone

HCID 75189CAS 2216-87-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCCC(=O)CC
InChIKey: YNMZZHPSYMOGCI-UHFFFAOYSA-N
분자식: C11H22O
평균 분자량: 170.29 g/mol
단동위원소 질량: 170.16706532

이름 및 식별자

우선 이름: 3-Undecanone
IUPAC: undecan-3-one
현지명: 3-운데카논
영어명: 3-Undecanone
분자식: C11H22O
분자량: 170.29

이름 및 동의어

3-UndecanoneUndecan-3-oneEthyl octyl ketoneEINECS 218-700-1DTXSID20176695NSC 158429Undecan3oneRefChem:95502DTXCID2099186218-700-1YNMZZHPSYMOGCI-UHFFFAOYSA-N2216-87-7

이름 더 보기

3-운데카논3-hendecanoneUndecane-3-one3-Undecanone,98%3-UNDECANONE 98%Ethyloctylketone3-Undecanone, ≥ 85.0%

ETHYL n-OCTYL KETONEundecan-9-oneSCHEMBL888107SCHEMBL7806715SCHEMBL7840044SCHEMBL9114320CAA21687LMFA12000060

데이터베이스 식별자

CAS: 2216-87-7
PubChem CID: 75189
DTXSID: DTXSID20176695
EC Number: 218-700-1
Nikkaji: J121.214A

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 8
무거운 원자 수: 12
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

Physical DescriptionColorless liquid; mp = 12-13 deg C; [Alfa Aesar MSDS]

Kovats Retention Index · 3건

1268；1269

1255；1298；1283；1283

1586；1571；1555

물리화학적 성질

녹는점: 8 · 8-10°C
끓는 점: 225 · 225-229°C
밀도: 0 · 0,832 g/cm3
굴절률: 1.429 · 1.4290
인화점: 89 °C · 89°C
용해도: Insoluble in water, soluble in alcohol and oils
물리적 상태: 투명한 액체
색상: 무색~황색
냄새: Fruity, aldehydic-herbal odor, more fruity than Methyl nonyl ketone and less.
BRN: 1749500 · 1749500
LogP: 4.034 · 4.034 (est)

화학적 성질

Colorless transparent liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 1 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.

유해성 정보

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

HS 번호: 2914.19.0000
기존화학 물질: KE-35073

화학 및 산업

공급사28 곳

湖北蝶化新材料科技有限公司86-18372897-544 18995560451

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

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