基本情報
- CAS
112-66-3- 標準SMILES
CCCCCCCCCCCCOC(C)=O- InChIKey
VZWGRQBCURJOMT-UHFFFAOYSA-N- 分子式
- C14H28O2
- 平均分子量
- 228.37 g/mol
- 単同位体質量
- 228.20893013
概要
Dodecyl acetate is a carboxylic ester.
名称と識別子
- 優先名称
- Dodecyl acetate
- IUPAC
- dodecyl acetate
- 現地名
- 酢酸ドデシル
- 英語名
- DODECYL ACETATE
- 分子式
- C14H28O2
- 分子量
- 228.37
名称と別名
DODECYL ACETATELauryl acetate112-66-31-Dodecanol acetateAcetic acid, dodecyl esterDodecanol acetateDodecanyl acetaten-Dodecyl ethanoateDodecyl alcohol acetateLauryl ethanoateDodecanyl ethanoateFEMA No. 2616
名称をさらに表示
酢酸ドデシルラウリル=アセタート1-ドデカノールアセタートドデシルアルコールアセタ-トドデシルアセタートアセタートC-12酢酸ラウリルドデシル=アセタートドデシルアセテ-ト酢酸ｎドデシルエステルオキメラノルアオキメラノコールドデシル アセタートオキメラコンFEMA 2616NSC 67366acetatec-12LAURYLACETATAcetate C-12DodecylacetatOkimelanolureDodecylethanoate
DODECYLACETATEDTXSID704764176J36KE44BNSC-67366DTXCID5027641RefChem:798584203-995-1N-Dodecyl acetate
データベース識別子
- CAS
112-66-3- PubChem CID
- 8205
- DTXSID
DTXSID7047641- ChEMBL
CHEMBL2228460- ChEBI
CHEBI:165649- UNII
- 76J36KE44B
- EC Number
- 203-995-1
- Nikkaji
- J1.506G
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 12
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 155
実験および物理化学的性質
Chemical ClassesOther Classes -> Esters, Other
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Lauryl acetate) -> IFRA transparency List
Pesticides
Attractants
Active substance -> EU Pesticides database: Approved
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.860-0.865
Flavoring AgentsEU Flavoring substances
Solubility
soluble in most organic solvents
1 ml in 4 ml 80% alcohol (in ethanol)
Boiling Point
150.00 °C. @ 15.00 mm Hg
150 °C (15 mmHg)
Melting Point1.3 °C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 97.6% (1553 of 1592) of all reports.
Not Classified
Aggregated GHS information provided per 1592 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Acetic acid, dodecyl ester
Reg. (EU) 2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160
Acetic acid, dodecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Acetic acid, dodecyl ester: Environment tier I assessment
Hazards SummaryA mild skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- AH3525000
- hs_code
- 2915.39.4000
- risk_code
- 53
- 化審法
- (2)-735
- 消防法
- 危-4-3-III
- Hazard Classifications
- Aquatic Chronic 4
- ストレージクラス
- 10 - Combustible liquids
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Uses
Used as a flavoring agent; [FDA] Component of straight chain Lepidopteran pheromone (SCLP) formulations used in plant protection products in the EC; SCLPs function by mating disruption or mass trapping rather than directly killing the target insect; [ExPub: EFSA: DAR - Vol. 1] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP]
Farming (Pesticides) [Category: Industry]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationAcetic acid, dodecyl ester: ACTIVE
応用分野
用途香料材料、化粧品原料。有機合成原料。
説明Lauryl acetate has a characteristic citrus-rose odor. The corre sponding flavor develops only on dilution. May be prepared by acetylation of lauryl alcohol.
天然物の起源Reported found in sour cherry, cardamom, bitter orange, lime, lemon and mandarin peel oils.
使用1-Dodecanol Acetate can be used as a foaming agent in the purification process of quartz sand. Furthermore, it is a main component of the essential oil from the flowers of Etlingera elatior (Jack) R. M. Smith, which is found to be active against Staphylococcus aureus, Bacillus cereus, Candida albicans and Cryptococcus neoformans.
調製方法
By acetylation of lauryl alcohol.
関連反応
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