10-Undecenal (HCID 8187)

개요

10-undecenal is an undecenal in which the C=C bond is at the 10-11 position.

이름 및 식별자

우선 이름: 10-Undecenal
IUPAC: undec-10-enal
현지명: 운데실렌알데히드
영어명: 10-Undecenal
분자식: C11H20O
분자량: 168.28

이름 및 동의어

10-UndecenalUndec-10-enal112-45-8Undecylenic aldehydeHendecenalUndecylenaldehyde1-Undecen-10-al10-Undecylenealdehyde10-HendecenalC-11 aldehyde, undecylenicundecylenalAldehyde C-11, undecylenic

이름 더 보기

10-운데세날운데실렌알데히드운데실렌알INTRELEVEN ALDEHYDE10-UNDECENYL ALDEHYDEFEMA 23639-UNDECENAL10-UNDECEN-1-ALintreleven aldehyde (IFF)ALDEHYDE C11 ENIC/UNDECYLENIC ALDEHYDE

FEMA No. 3095EINECS 203-973-1NSC 44900BRN 1746480DU1OTA08RYAldehyde C-11 undecylenicAI3-03940NSC-44900

데이터베이스 식별자

CAS: 112-45-8
PubChem CID: 8187
DTXSID: DTXSID3037757
ChEMBL: CHEMBL3185269
ChEBI: CHEBI:125536
UNII: DU1OTA08RY
EC Number: 203-973-1
Nikkaji: J61.751B

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 9
무거운 원자 수: 12
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (10-Undecenal) -> IFRA transparency List

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

Density0.840-0.850

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점: 7 °C · 7°C
끓는 점: 98 · 98-100 °C3 mm Hg(lit.)
밀도: 0.84 g/mL · 0.84 g/mL at 25 °C(lit.)
증기 밀도: 1 · >1 (vs air)
증기압: 8.7 Pa · 8.7Pa at 25℃
FEMA: 3095 · 3095 | 10-UNDECENAL
굴절률: 20 · n20/D 1.4427(lit.)
인화점: 199 °F · 199 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
산도 계수 (pKa): 0 · 0[at 20 ℃]
물리적 상태: 결정 또는 결정성 분말
색상: 하얀색
Specific Gravity: 0.84 · 0.84
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 왁시 알데히딕 로즈 만다린 시트러스 비눗물 지방
냄새 유형: 알데히드계
생물학적 소스: synthetic
수용성: 불용성
JECFA Number: 330 · 330
주요 응용: 향료 및 향
화장품 원료 기능: 향기향수
InChI: 1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2
InChIKey: OFHHDSQXFXLTKC-UHFFFAOYSA-N
SMILES: [H]C(=O)CCCCCCCCC=C
LogP: 4.672 at · 4.672 at 25℃
NIST: 10 · 10-Undecenal(112-45-8)
EPA: 10 · 10-Undecenal (112-45-8)

화학적 성질 · 1건

10-Undecenal was identified, for example, in coriander leaf extract. It is a colorless liquid with a fatty, green, slightly metallic, heavy, floral odor. The aldehyde can be synthesized from undecylenic acid, for example, by hydrogenation of the acid chloride (Rosenmund reduction) or by reaction with formic acid in the vapor phase in the presence of titanium dioxide. In perfumery, 10-undecenal is one of the aldehydes essential for creating the “aldehydic note.” Mixtures containing undecenals with the double bond in other positions (9-, 8-, 7-) are also marketed and used in fragrances, for example, Aldehyde C11 Iso (Givaudan), Intreleven aldehyde (IFF).

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (97.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1818 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H227: Combustible liquid [Warning Flammable liquids]

유해성 정보

Regulatory Information · 5건

Chemical: 10-Undecenal

Regulation (EC) No 1831/2003 (amended)

10-Undecenal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 10-Undecenal are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 28-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12737

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

Hazard Classes and Categories · 2건

Skin Irrit. 2 (97.2%)

Flammable liquids - Category 4

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: YQ2835000
ridadr: NA1993
독성: rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 11, Pg. 479, 1973.
HS 번호: 29121900
risk_code: 38-10
hazard_code: Xi
safety_code: 24/25-37/39-26
위험 등급: CBL
기존화학 물질: KE-35080
Hazard Classifications: Aquatic Chronic 3Skin Irrit. 2Skin Sens. 1B
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

U.S. Production2023: 8,500,000 - <10,000,000 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 30 consumer products that contain Undecylenal in the following categories is provided:

Use Classification · 5건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

10-Undecenal: ACTIVE

응용 분야 · 2건

출처Reported found in coriander leaf (Coriandrum sativum L.).

용도10-Undecylenic Aldehyde is derived from the reduction of Undecylenic Acid (U788820) which is used for the manufacture of pharmaceuticals, cosmetics and perfumery, including antidandruff shampoos, antimicrobial powders and as a musk in perfumes and aromas.

제조 방법 · 1건

By oxidation of the corresponding alcohol or reduction of the corresponding acid; by passing vapors of formic acid and undecylenic acid over TiO2 at 250°C under pressure; by passing vapors of undecylenic acid and methanol over a manganese dioxidebased catalyst; or by reduction of ethyl undecylenate with lithium hydride and sodium in tetrahydrofuran solution at very low temperature (–50°C).

상·하류 제품 정보

상류 원료

하류 제품

운데실레닐알코올 CIS-11-HEXADECENAL 11-헥사데신-1-OL METHYL 10-UNDECENOATE 1,13-Tetradecadien-4-ol

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]

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

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

연결된 노트

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운데실렌알데히드

기본 정보

개요