alpha-Methylnaphthalene-2-methanol

HCID 98243CAS 7228-47-9

기본 정보

표준 SMILES: CC(O)c1ccc2ccccc2c1
InChIKey: AXRKCRWZRKETCK-UHFFFAOYSA-N
분자식: C12H12O
평균 분자량: 172.22 g/mol
단동위원소 질량: 172.088815

이름 및 식별자

우선 이름: alpha-Methylnaphthalene-2-methanol
IUPAC: 1-naphthalen-2-ylethanol
영어명: 2-Naphthaleneethanol
분자식: C12H12O
분자량: 172.22

이름 및 동의어

7228-47-9alpha-Methylnaphthalene-2-methanolRefChem:1076539230-630-31-(naphthalen-2-yl)ethanol1-(naphthalen-2-yl)ethan-1-ol40295-80-5(+/-)-1-(2-Naphthyl)ethanol1-naphthalen-2-ylethanolMFCD00004111NSC92277Maybridge4_000495

이름 더 보기

AURORA KA-69572-NAPHTHYL ETHANOL1-(2-phthyl)ethanol2-NaphthaleneethanolMethyl 2-naphtylcarbinol1-(2-Naphthalene)ethanol1-(2-Naphthyl)ethanol>Methyl-2-naphthylcarbinol1-(2-Naphthalenyl)ethanol

SCHEMBL110360.alpha.-Methyl-2-naphthalenemethanolNSC-92277IDI1_031077alpha-Methyl-2-naphthalenemethanol, 98%AS-14347R10069Z335245116

데이터베이스 식별자

CAS: 7228-47-9
PubChem CID: 98243
DTXSID: DTXSID101373065
EC Number: 230-630-3
Nikkaji: J212.253G

물성

구조 계산 물성

XLogP: 3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

LogP2.68

물리화학적 성질

녹는점: 73 · 73-78 °C (lit.)
끓는 점: 180 · 180-184 °C (15 mmHg)
밀도: 1.113 · 1.113±0.06 g/cm3(Predicted)
인화점: 170 °C/13mm · 170°C/13mm
저장 조건: Sealed in dry,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 14.36 · 14.36±0.20(Predicted)
색상: 흰색에서 노란색으로
BRN: 1907449 · 1907449
InChI: InChI=1S/C12H12O/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,13H,7-8H2
InChIKey: VCZANYLMPFRUHG-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC=C1CCO
NIST: -2 · «ALPHA»-methyl-2-naphthalenemethanol(7228-47-9)

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 2906290090
safety_code: 22-24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-(Naphthalen-2-yl)ethanol is a reagent used in the chemical-enzymic preparation and resolution of β-naphthyl alcohols. A cinacalcet impurity.

일반 설명α-Methyl-2-naphthalenemethanol forms complexes and multimers with methyl lactate. α-Methyl-2-naphthalenemethanol on reaction with sulfur trioxide-dimethylformamide complex and pyridine yields sulfated products.