3-Decanol (HCID 519158)

개요

Decan-3-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 3. It has a role as an Arabidopsis thaliana metabolite, a pheromone, a flavouring agent and an animal metabolite. It is a decanol and a secondary alcohol.

이름 및 식별자

우선 이름: 3-Decanol
IUPAC: decan-3-ol
영어명: 3-DECANOL
분자식: C10H22O
분자량: 158.28

이름 및 동의어

3-Decanoldecan-3-olEthyl heptyl carbinolHeptyl ethyl carbinolEthyl n-heptyl carbinol3-HYDROXYDECANEFEMA No. 3605UNII-WTY84QBP4TWTY84QBP4TDL-DECAN-3-OL3-DECANOL [FHFI]1-ETHYL-1-OCTANOL

이름 더 보기

3-Decanoi3-Decanol>3-HYDROXYDECANE3-DECYL ALCOHOLETHYLHEPTYLCARBINOLETHYL-N-HEPTYLCARBINOL3-Decyl Alcohol Ethylheptylcarbinol

AI3-19948DTXSID50862695FEMA 3605RefChem:93621(+-)-3-DECANOLDTXCID908114253-DECANOL, (+-)-605-062-8

데이터베이스 식별자

CAS: 1565-81-7
PubChem CID: 519158
DTXSID: DTXSID50862695
ChEBI: CHEBI:195405
UNII: WTY84QBP4T
EC Number: 605-062-8
Nikkaji: J80.234D

물성

구조 계산 물성

XLogP: 3.9
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

LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]

SolventsSolvents -> Alcohols (<C12)

SpringerMaterials PropertiesDensity

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.826-0.832

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점: -5 °C · -5°C
끓는 점: 98 · 98-99°C 11mm
밀도: 0 · 0,83 g/cm3
굴절률: 1.4345 · 1.4345
FEMA: 3605 · 3605 | 3-DECANOL
인화점: 99 °C · 99°C
물리적 상태: solid
산도 계수 (pKa): 15.33 · 15.33±0.20(Predicted)
냄새: 100 %에서 · 100.00%에서. 꽃 지방 오렌지 곰팡내 나는 버섯
냄새 유형: 꽃향기
JECFA Number: 295 · 295
BRN: 1719658 · 1719658
Henry's Law Constant: 3.8 · 3.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C10H22O/c1-3-5-6-7-8-9-10(11)4-2/h10-11H,3-9H2,1-2H3
InChIKey: ICEQLCZWZXUUIJ-UHFFFAOYSA-N
SMILES: CCCCCCCC(O)CC
LogP: 3.88 · 3.88
EPA: 3 · 3-Decanol (1565-81-7)

화학적 성질

3-Decanal has an orange, fatty, musty, mushroom-like odor.

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Not Classified

유해성 정보

Regulatory Information · 3건

Chemical: 3-Decanol

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

3-Decanol: 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 environment

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] An irritant; [Alfa Aesar MSDS] See 1-Decanol.

Hazard Classes and CategoriesEye Irrit. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: WGK 3
tsca: TSCA listed
risk_code: 36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-37-37/39-36
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information3-Decanol: ACTIVE

응용 분야

출처Reported found in mint, French fried potato and spearmint oil.

공급사49 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

불러오는 중…

3-Decanol

기본 정보

개요