(+-)-2-Undecanol (HCID 15448)

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. 324649PCZ1S7LY(+-)-2-UndecanolDTXSID2058673CHEBI:77930RefChem: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 물성

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

실험 및 물리화학적 성질

Density0.828-0.831 (20 °C)

Solubility · 3건

0.197 mg/mL at 25 °C

insoluble in water; soluble in alcohol and ether

(in ethanol)

Boiling Point · 2건

232.00 to 233.00 °C. @ 760.00 mm Hg

233 °C

Melting Point-11.00 to -9.00 °C. @ 760.00 mm Hg

Refractive Index1.437-1.439

Physical Description · 3건

Colorless liquid; [MSDSonline]

Liquid

colourless liquid

물리화학적 성질

녹는점: 2 · 2-3 °C
끓는 점: 130 · 130-131 °C/28 mmHg (lit.) 229-231 °C (lit.)
밀도: 0.828 g/mL · 0.828 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.437(lit.)
FEMA: 3246 · 3246 | 2-UNDECANOL
인화점: 226 °F · 226 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(난용성), 에틸아세테이트(소량으로 용해), 메탄올(난용성)
산도 계수 (pKa): 15.28 · 15.28±0.20(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
냄새: 100 %에서 · 100.00%에서. 신선한 왁스 같은 깨끗한 천 면 사르사파릴라
냄새 유형: 밀랍같은
생물학적 소스: synthetic
수용성: 물에 섞이거나 혼합하기 어렵지 않습니다. 알코올과 에틸 에테르에 용해됩니다.
JECFA Number: 297 · 297
BRN: 1719795 · 1719795
Henry's Law Constant: 1.2 · 1.2×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKey: XMUJIPOFTAHSOK-UHFFFAOYSA-N
SMILES: CCCCCCCCCC(C)O
LogP: 4.41 · 4.41
EPA: 2 · 2-Undecanol (1653-30-1)

화학적 성질

2-Undecanol has a fatty odor with a fruity note. A fruity taste is also detectable at low concentration.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Aquatic Chronic 2 (100%)

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

규제 정보

Regulatory Information · 2건

Chemical: 2-Undecanol

2-Undecanol: Does not have an individual approval but may be used under an appropriate group standard

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
safety_code: 26-36-61
기존화학 물질: KE-35069
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsExtracellular；Membrane

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

하류 제품

언데킬 알코올

공급사50 곳

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

추가 설명

정의ChEBI: A fatty alcohol that is undecane carrying a single hydroxy substituent at position 2.

연결된 노트

불러오는 중…

(+-)-2-Undecanol

기본 정보