(+-)-2-Undecanol

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기본 정보

CAS: 1653-30-1
표준 SMILES: CCCCCCCCCC(C)O
InChIKey: XMUJIPOFTAHSOK-UHFFFAOYSA-N
분자식: C11H24O
평균 분자량: 172.31 g/mol
단동위원소 질량: 172.18271539

개요

Undecan-2-ol is a secondary alcohol that is undecane substituted by a hydroxy group at position 2. It has a role as a pheromone, a volatile oil component, a flavouring agent, an animal metabolite and a plant metabolite. It is an undecanol and a secondary alcohol.

이름 및 식별자

우선 이름: (+-)-2-Undecanol
IUPAC: undecan-2-ol
영어명: 2-Undecanol
분자식: C11H24O
분자량: 172.31

이름 및 동의어

2-UNDECANOLUndecan-2-ol1653-30-12-Hendecanol2-Hydroxyundecanesec-Undecyl AlcoholFEMA No. 324649PCZ1S7LYCHEBI:77930(+-)-2-UndecanolDTXSID2058673RefChem:483844

이름 더 보기

FEMA 3246See A14441DL-2-UNDECANOL(±)-undecan-2-ol2-UNDECANOL 99+%2-UNDECANOL, 98+%

DTXCID107962216-722-6Methyl nonyl carbinol113666-64-1MFCD00021958Undecylic alcohol, sec-METHYLNONYLCARBINOL(+)-2-Undecanol

데이터베이스 식별자

CAS: 1653-30-1
PubChem CID: 15448
DTXSID: DTXSID2058673
ChEMBL: CHEMBL4633278
ChEBI: CHEBI:77930
UNII: 49PCZ1S7LY
EC Number: 216-722-6
Nikkaji: J102.385C

물성

구조 계산 물성보충 중

XLogP: 4.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 8
무거운 원자 수: 12
형식 전하: 0
복잡도: 81.1

실험 및 물리화학적 성질

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

SolventsSolvents -> Alcohols (<C12)

FragrancesFragrance Ingredient (2-Undecanol) -> IFRA transparency List

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.828-0.831 (20 °C)

Flavoring AgentsEU Flavoring substances

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Undecanol

2-Undecanol: 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 SummaryAn irritant; [MSDSonline] See 1-Undecanol.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
HS 번호: 29051990
risk_code: 36/37/38-51/53
hazard_code: Xi,N

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2-Undecanol: ACTIVE

응용 분야 · 3건

출처The l-form is reportedly found in rue oil and in the essential oil of Litsea odorifera, the d-form occurs in coconut. Also reported found in fresh apple, banana, papaya, strawberry fruit, chive, roasted onion, ginger, other types of ginger, cheddar cheese, Camembert cheese, Gruyere cheese, cognac, Curcuma aeruginosa Roxb., Curcuma heyneana Val., hop oil, coconut, meat, milk, mushroom and sweet corn.

용도2-Undecanol is a useful chemical reagent. It is reported that 2-Undecanol can be converted into aldehyde or ketone under mild conditions in the presence of a copper-based catalyst.

일반 설명2-Undecanol is a volatile fatty alcohol that is reported to occur as a flavor component of coconut meat, cheese and hopped beer.

제조 방법

By reduction of methyl nonyl ketone with sodium metal in alcohol; the d-form is isolated from the optically inactive material via the corresponding phthalate and in its salt with strychnine and brucine.

상·하류 제품 정보

상류 원료

Octanoic acid, 1-methyldecyl ester

화합물 노트

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기본 정보

CAS: 1653-30-1
표준 SMILES: CCCCCCCCCC(C)O
InChIKey: XMUJIPOFTAHSOK-UHFFFAOYSA-N
분자식: C11H24O
평균 분자량: 172.31 g/mol
단동위원소 질량: 172.18271539

개요