CAS 1193-81-3 1-Cyclohexylethanol (HCID 137829)

이름 및 식별자

우선 이름: 1-Cyclohexylethanol
IUPAC: 1-cyclohexylethanol
현지명: 사이클로헥실에탄올
영어명: 1-Cyclohexylethanol
분자식: C8H16O
분자량: 128.21

이름 및 동의어

1-Cyclohexylethanol1193-81-3Cyclohexanemethanol, alpha-methyl-Cyclohexanemethanol, .alpha.-methyl-alpha-MethylcyclohexanemethanolDTXSID7047643EINECS 214-780-7G247D91I97UNII-G247D91I97NSC 9476NSC-9476NSC 44898

이름 더 보기

사이클로헥실에탄올1-사이클로헥실에탄올1-Cyclohexylethan-1-olα-MethylcyclohexanemethanolNsc9476CYCLOHEXANEETHANOL1-Cyclohexyl-1-ethanolEthanol, 1-cyclohexyl-CYCLOHEXYLMETHYLCARBINOLMethylcyclohexylcarbinol1-CYCLOHEXYLETHANOL 98+%

NSC-44898AI3-36516DTXCID5027643FEMA NO. 4794RefChem:75500CYCLOHEXANEMETHANOL, (+-)-1-CYCLOHEXYLETHANOL, (+-)-METHYLCYCLOHEXYLCARBINOL, (+-)-

데이터베이스 식별자

CAS: 1193-81-3
PubChem CID: 137829
DTXSID: DTXSID7047643
ChEMBL: CHEMBL3186998
UNII: G247D91I97
EC Number: 214-780-7
Nikkaji: J138.306J

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 74.6

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (1-Cyclohexylethanol) -> IFRA transparency List

물리화학적 성질

녹는점: 140 °C · 140 °C
끓는 점: 189 °C · 189 °C (lit.)
밀도: 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
증기압: 36.8 Pa · 36.8Pa at 24℃
굴절률: 20 · n20/D 1.465(lit.)
FEMA: 4794 · 4794 | (+/-)-1-CYCLOHEXYLETHANOL
인화점: 163 °F · 163 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 15.24 · 15.24±0.20(Predicted)
냄새: 깨끗하고 상큼한 향
수용성: 5.163 g/L · 5.163g/L at 24℃
JECFA Number: 2221 · 2221
BRN: 2322053 · 2322053
화장품 원료 기능: 향기
InChI: 1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
InChIKey: JMSUNAQVHOHLMX-UHFFFAOYSA-N
SMILES: CC(O)C1CCCCC1
LogP: 1.6 at · 1.6 at 25℃
NIST: 1 · 1-Cyclohexylethanol(1193-81-3)
EPA: Cyclohexanemethanol, .alpha.-methyl- (1193-81-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H312 (99.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 256 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Cyclohexanemethanol, .alpha.-methyl-

Status: Active Update: 16-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24963

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

Hazard Classes and CategoriesAcute Tox. 4 (99.2%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: GV5776500
독성: rabbit,LDLo,skin,1gm/kg (1000mg/kg),LUNGS, THORAX, OR RESPIRATION: OTHER CHANGESBEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)LIVER: OTHER CHANGES,National Technical Information Service. Vol. OTS0545755,
HS 번호: 29061900
risk_code: 36/37/38
safety_code: 23-24/25
기존화학 물질: KE-09237
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Household ProductsInformation on 1 consumer products that contain 1-Cyclohexylethanol in the following categories is provided:

Use Classification · 2건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationCyclohexanemethanol, .alpha.-methyl-: ACTIVE

응용 분야 · 1건

일반 설명1-Cyclohexylethanol undergoes photocatalytic oxidation (PCO) using nanoparticles titanium dioxide (TiO2-P25) as a semiconductor photocatalyst in acetonitrile, under aerated conditions. It forms cyclohexylethanols by undergoing catalytic ring hydrogenation over several noble metal catalysts supported on charcoal, or on γ-alumina in supercritical carbon dioxide.