3,3,5-Trimethylcyclohexanone (HCID 13398)

개요

structure in first source

이름 및 식별자

우선 이름: 3,3,5-Trimethylcyclohexanone
IUPAC: 3,3,5-trimethylcyclohexan-1-one
현지명: 3,3,5-트리메틸사이클로헥사논
영어명: 3,3,5-Trimethylcyclohexanone
분자식: C9H16O
분자량: 140.22

이름 및 동의어

3,3,5-TRIMETHYLCYCLOHEXANONE873-94-93,3,5-Trimethylcyclohexan-1-oneDihydroisophoroneCyclohexanone, 3,3,5-trimethyl-QXG9U7N202DTXSID5044996J68.885ADTXCID3024996RefChem:90755212-855-9Trimethylcyclohexanone

이름 더 보기

3,3,5-트리메틸사이클로헥사논3,3,5-트라이메틸사이클로헥산온3,3,5-트리메틸시클로헥사논3,5,5-Triethylcyclohexanone3,3,5-trimethyl-cyclohexanon3,3,5-trimethyi-cyclohexanone3,3,5-Trimethylcyclohexan-1-on3,3,5-Trimethyl-1-cyclohexanone

Dihydro-isophoroneEINECS 212-855-9UNII-QXG9U7N202MFCD000194663,5,5-TrimethylcyclohexanoneAI3-33978EC 212-855-93,5,5-trimethyl cyclohexanone

데이터베이스 식별자

CAS: 873-94-9
PubChem CID: 13398
DTXSID: DTXSID5044996
ChEMBL: CHEMBL3186483
UNII: QXG9U7N202
EC Number: 212-855-9
Nikkaji: J68.885A

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 147

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aliphatic Ketones, Other

Flavoring AgentsEU Flavoring substances

Physical Description · 2건

Liquid

Clear colorless liquid; [Acros Organics MSDS]

물리화학적 성질

녹는점: -10 °C · -10 °C (lit.)
끓는 점: 188 · 188-192 °C (lit.)
밀도: 0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
증기압: 60 · 60-133.36Pa at 20-30.99℃
굴절률: 20 · n20/D 1.445(lit.)
인화점: 150 °F · 150 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 30 g/L · 30g/L
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 0.889 · 0.889
폭발한계: 1.1 % · 1.1%(V)
수용성: 13 g/L · 13g/L(20℃)
BRN: 507452 · 507452
InChI: 1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
InChIKey: POSWICCRDBKBMH-UHFFFAOYSA-N
SMILES: CC1CC(=O)CC(C)(C)C1
LogP: 2.2 · 2.2-2.6 at 25℃
NIST: 3 · Cyclohexanone, 3,3,5-trimethyl-(873-94-9)
EPA: 3 · Cyclohexanone, 3,3,5-trimethyl- (873-94-9)

화학적 성질

Colorless oily liquid. B.P. 167°C. Very slightly soluble in water, soluble in alcohol and oils.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P317, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1502 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: Cyclohexanone, 3,3,5-trimethyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Cyclohexanone, 3,3,5-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 3,3,5-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-11-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5246

3,3,5-Trimethylcyclohexanone: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards Summary · 1건

Causes somnolence in inhalation lethal-concentration studies of rats; Causes changes in lung and liver weights in 4-week intermittent inhalation studies of rats; [RTECS] An irritant; Inhalation of high concentrations may cause CNS depression and asphyxiation; [Acros Organics MSDS] See Cyclohexanone.

Hazard Classes and CategoriesEye Irrit. 2A (10.6%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLC50 (rat) = 14,200 mg/m3

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: GW2185000
HS 번호: 29142200
risk_code: 37/38-41-36/37/38-36/37
hazard_code: Xi
safety_code: 26-39-28A
기존화학 물질: KE-34454
Hazard Classifications: Eye Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Cyclohexanone, 3,3,5-trimethyl-: ACTIVE

응용 분야 · 1건

용도3,3,5-Trimethylcyclohexanone is used as a raw material for chemical syntheses e,g. monomer for specialty polycarbonate (Apec®); peroxides used as polymerization initiator. It is also used in coatings and paints to provide improved leveling, gloss and surface finish.

제조 방법

3,3,5-Trimethylcyclohexanone is produced by catalytic hydrogenation of iso-Phorone.

상·하류 제품 정보

상류 원료

트리메틸사이클로헥사놀-3,3,5 아이소포론 수소 에틸알코올

하류 제품

3,5,5-트리메틸-2-시클로헥센-1-OL Bisphenol TMC 3,5,5-Trimethylcyclohexane-1,2-dione 트리메틸사이클로헥사놀-3,3,5 Cyclohexanol, 1-ethynyl-3,3,5-trimethyl-

공급사50 곳

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

河南赢创生物科技有限公司16650615803 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

연결된 노트

불러오는 중…

3,3,5-트리메틸사이클로헥사논

기본 정보

개요