2-데카놀

2-Decanol

HCID 14254CAS 1120-06-5

기본 정보

표준 SMILES: CCCCCCCCC(C)O
InChIKey: ACUZDYFTRHEKOS-UHFFFAOYSA-N
분자식: C10H22O
평균 분자량: 158.28 g/mol
단동위원소 질량: 158.16706532

개요

Decan-2-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 2. It has a role as a nematicide, an animal metabolite and a bacterial metabolite. It is a decanol and a secondary alcohol.

이름 및 식별자

우선 이름: 2-Decanol
IUPAC: decan-2-ol
현지명: 2-데카놀
영어명: 2-DECANOL
분자식: C10H22O
분자량: 158.28

이름 및 동의어

2-DECANOLDecan-2-olDecanol-2Methyl-n-octyl carbinolSLY85BY3SSMethyl octyl carbinolNSC-67349DTXSID908625532HydroxydecaneDecan2olRefChem:86658(+-)-2-DECANOL

이름 더 보기

2-데카놀2-데칸올ecan-2-olAI3-11545NSC 673492-decylol2-DECANOL 98%2-Decanol,98%

DTXCID808112972-DECANOL, (+-)-ACUZDYFTRHEKOS-UHFFFAOYSA-N1120-06-52-Hydroxydecane2-Decyl AlcoholMethyl-n-octylcarbinolMFCD00004594

데이터베이스 식별자

CAS: 1120-06-5
PubChem CID: 14254
DTXSID: DTXSID90862553
ChEMBL: CHEMBL46477
ChEBI: CHEBI:195600
UNII: SLY85BY3SS
EC Number: 214-296-6
Nikkaji: J80.157G

물성

구조 계산 물성

XLogP: 4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 7
무거운 원자 수: 11
형식 전하: 0
복잡도: 71.3

실험 및 물리화학적 성질

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesBoiling point

Physical DescriptionClear colorless liquid; [Aldrich MSDS]

물리화학적 성질

녹는점: -6 · -6--4 °C (lit.)
끓는 점: 211 °C · 211 °C (lit.)
밀도: 0.827 g/mL · 0.827 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.434(lit.)
인화점: 185 °F · 185 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 액체
산도 계수 (pKa): 15.29 · 15.29±0.20(Predicted)
색상: 무색의
수용성: 물과 섞이지 않습니다.
BRN: 1719664 · 1719664
Henry's Law Constant: 5.4 · 5.4×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
InChI: 1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
InChIKey: ACUZDYFTRHEKOS-UHFFFAOYSA-N
SMILES: CCCCCCCCC(C)O
LogP: 3.74 · 3.740 (est)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Not Classified

유해성 정보

Hazards SummaryA skin, respiratory tract, and strong eye irritant; [Aldrich MSDS] See 1-Decanol.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 3
ridadr: UN 3082 9/PG 3
HS 번호: 29051900
risk_code: 36-51/53-15-10
hazard_code: Xi,N,Xn,F
safety_code: 26-61-43-7/8
기존화학 물질: KE-09484
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Decanol is used to develop a miniature catalytic reactor for the oxidation of alcohols with O2 in supercritical CO2. It was used to study the substrate spectrum of phytanoyl-CoA hydroxylase with regard to the length of both the acyl chain and the branch at position.

일반 설명2-Decanol undergoes Ru(OCOCF3)2(CO)(PPh3)2-catalyzed hydrogen elimination reaction.