2-Nonanone

HCID 13187CAS 821-55-6

기본 정보

표준 SMILES
CCCCCCCC(C)=O
InChIKey
VKCYHJWLYTUGCC-UHFFFAOYSA-N
분자식
C9H18O
평균 분자량
142.24 g/mol
단동위원소 질량
142.1357652

개요

Methyl heptyl ketone is a colorless liquid. (USCG, 1999)

이름 및 식별자

우선 이름
2-Nonanone
IUPAC
nonan-2-one
영어명
2-Nonanone
분자식
C9H18O
분자량
142.23862

이름 및 동의어

2-NONANONENonan-2-one821-55-6Heptyl methyl ketoneMethyl heptyl ketonebeta-NonanoneKetone, heptyl methylMETHYL N-HEPTYL KETONEFEMA No. 2785NSC 14760DTXSID2022125ZE5K73YN2Z
이름 더 보기
NSC-14760DTXCID002125CHEBI:77927RefChem:88764212-480-0.beta.-NonanoneMFCD000095532-Nonanone-d5

데이터베이스 식별자

CAS
821-55-6
PubChem CID
13187
DTXSID
DTXSID2022125
ChEMBL
CHEMBL2228473
ChEBI
CHEBI:77927
UNII
ZE5K73YN2Z
EC Number
212-480-0
Nikkaji
J7.123D

물성

구조 계산 물성

XLogP
3.1
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
6
무거운 원자 수
10

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SolventsSolvents -> Ketones (<C12)
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (2-Nonanone) -> IFRA transparency List
LogP · 2건

3.14

3.18

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

물리화학적 성질

녹는점
-7.5 °C · -7.5 °C
끓는 점
195.3 °C · 195.3 °C
밀도
0.8188 g/cm3 · 0.8188 g/cm3(Temp: 22 °C)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.5% (9 of 1697) of reports.

Warning

H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 1697 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Nonanone

Regulation (EC) No 1831/2003 (amended)

Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17523

2-Nonanone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Nonanone: Environment tier I assessment
DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Health HazardsMay be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. (USCG, 1999)
Hazards SummaryMay be a skin and eye irritant; [CAMEO] An irritant; [MSDSonline]

안전 및 보호

Fire FightingFire Extinguishing Agents Not to Be Used: Water may be ineffective.
First AidINHALATION: Call for medical aid. If not breathing give artificial respiration. If breathing is difficult give oxygen.
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Isolation and EvacuationExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Protective Action Criteria (PAC) · 3건

9.6 [mg/m3]

110 [mg/m3]

630 [mg/m3]

Personal Protective Equipment (PPE)Self-contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC (rat) > 3,980 mg/m3/6h

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Nonanone: ACTIVE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
成都彼样生物科技有限公司18108052721 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

관련 반응

18건

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