Dodecanal

HCID 8194

기본 정보

CAS: 112-54-9
표준 SMILES: CCCCCCCCCCCC=O
InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N
분자식: C12H24O
평균 분자량: 184.32 g/mol
단동위원소 질량: 184.18271539

개요

Dodecanal is a long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has a role as a plant metabolite. It is a medium-chain fatty aldehyde, a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. It derives from a hydride of a dodecane.

이름 및 식별자

우선 이름: Dodecanal
IUPAC: dodecanal
영어명: 1-Dodecanal
분자식: C12H24O
분자량: 184.31836

이름 및 동의어

DODECANALDodecyl aldehyde112-54-9LauraldehydeLauric aldehydeLauryl aldehyden-DodecanalDodecanaldehyden-Dodecyl aldehyden-LauraldehydeDuodecylic aldehyden-Dodecylic aldehyde

이름 더 보기

LaurylaldehydeC12 aldehydeFEMA No. 2615C42O120SEFNSC-46128CHEMBL2228373DTXSID6021589CHEBI:27836

데이터베이스 식별자

CAS: 112-54-9
PubChem CID: 8194
DTXSID: DTXSID6021589
ChEMBL: CHEMBL2228373
ChEBI: CHEBI:27836
UNII: C42O120SEF
EC Number: 203-983-6
Nikkaji: J22.116C

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 10
무거운 원자 수: 13
형식 전하: 0
복잡도: 99.3

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aldehydes

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

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Lauric aldehyde) -> IFRA transparency List

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

Density0.826-0.836

물리화학적 성질

녹는점: 44.5 °C · 44.5 °C
끓는 점: 185 °C · 185 °C
밀도: 0.8352 g/cm3 · 0.8352 g/cm3(Temp: 15 °C)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (99.7%): 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 2223 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 5건

Chemical: Dodecanal

Regulation (EC) No 1831/2003 (amended)

Dodecanal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanal 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: 10-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13304

Lauraldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (99.7%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

약리 정보

Cellular LocationsExtracellular

용도 및 제조

UsesUsed in perfumes and as a flavoring agent; [Hawley]

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

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 64 consumer products that contain Lauraldehyde in the following categories is provided:

Use Classification · 3건

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

공급사100 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]

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

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

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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