CAS 1470-94-6 5-Indanol (HCID 15118)

개요

Indan-5-ol is a member of the class of phenols that is indan which has been hydroxylated at position 5. It is a member of phenols and a member of indanes.

이름 및 식별자

우선 이름: 5-Indanol
IUPAC: 2,3-dihydro-1H-inden-5-ol
영어명: 5-Indanol
분자식: C9H10O
분자량: 134.18

이름 및 동의어

5-INDANOL1470-94-62,3-dihydro-1H-inden-5-olIndan-5-ol5-Hydroxyindan5-Hydroxyhydrindene1H-Inden-5-ol, 2,3-dihydro-5-HydroxyindaneDTXSID0051732NSC 9775EINECS 216-006-3BRN 1936314

이름 더 보기

Indanol-55-Indanol,99%5-INDANOL 99%5-Indanol 99%

AI3-391609Z94H6F15TNSC-97752,3-dihydroinden-5-olDTXCID6030287CHEBI:593114-06-00-03829 (Beilstein Handbook Reference)5Hydroxyindan

데이터베이스 식별자

CAS: 1470-94-6
PubChem CID: 15118
DTXSID: DTXSID0051732
ChEMBL: CHEMBL3218378
ChEBI: CHEBI:59311
UNII: 9Z94H6F15T
EC Number: 216-006-3
Nikkaji: J40.603A

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Phenols

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.01 [mmHg]

Physical DescriptionLight brown or gray-brown solid; [Acros Organics MSDS]

Collision Cross Section132.0 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0051732]

물리화학적 성질

녹는점: 51 · 51-53 °C (lit.)
끓는 점: 255 °C · 255 °C (lit.)
밀도: 0.854 · 0.8540 (rough estimate)
굴절률: 1.563 · 1.5630 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 6.3 g/L · 6.3g/L
산도 계수 (pKa): 10.37 · 10.37±0.20(Predicted)
물리적 상태: powder to crystal
색상: 약간 갈색
BRN: 1936314 · 1936314
InChI: 1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
InChIKey: PEHSSTUGJUBZBI-UHFFFAOYSA-N
SMILES: Oc1ccc2CCCc2c1
EPA: 5 · 5-Indanol (1470-94-6)

화학적 성질

light brown to grey-brown crystalline powder or

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]

P262, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P316, P321, P332+P317, P337+P317, P361+P364, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses irritation in dermal lethal-dose studies of rabbits; [RTECS] An irritant; Harmful by skin absorption; [Acros Organics MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NK7525000
ridadr: UN 2811 6.1/PG 3
HS 번호: 29062900
risk_code: 21-20/21/22
hazard_code: Xn,Xi
safety_code: 36/37-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 Dermal
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing Information1H-Inden-5-ol, 2,3-dihydro-: INACTIVE

응용 분야 · 1건

개요5-Indanol, mp 54–55 ℃, bp 255 ℃, is produced from indan [496-11-7] by a sulfonation–alkali-fusion process. A synthesis for 1,1,3,3-tetraalkylindanols was developed by Bayer, which involves the reaction of isoolefins with secondary alkenylphenols (or compounds generating them under the reaction conditions) at 100–250 ℃ and in the presence of acidic catalysts. An example is the reaction of isobutene with bisphenol A in the presence of acid-activated clays which yields 1,1,3,3-tetramethyl-5-indanol [53718-26-6], mp 115 ℃, bp (2.66 kPa) 156 ℃, in a yield of 80% of the theoretical, and 4-tert-butylphenol as a coproduct.