酢酸ヘキサデシル

Cetyl Acetate

HCID 12393
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基本情報

CAS
629-70-9
標準SMILES
CCCCCCCCCCCCCCCCOC(C)=O
InChIKey
LSTDYDRCKUBPDI-UHFFFAOYSA-N
分子式
C18H36O2
平均分子量
284.5 g/mol
単同位体質量
284.27153039

名称と識別子

優先名称
Cetyl Acetate
IUPAC
hexadecyl acetate
現地名
酢酸ヘキサデシル
英語名
Palmityl acetate
分子式
C18H36O2
分子量
284.48

名称と別名

Hexadecyl acetatePalmityl acetate629-70-9Cetyl acetate1-Hexadecanol, acetate1-Acetoxyhexadecanen-Hexadecyl ethanoateHexadecanol acetateAcetic acid, hexadecyl esterENT 1025NSC 84921-Hexadecanol, 1-acetate
名称をさらに表示
酢酸セチルセチルアセタート酢酸ヘキサデシル1-ヘキサデカノールアセタートヘキサデシルアセテ-トヘリサデシル=アセタートヘキサデシル アセタートent1025Acelan AHexadecylethanoate1-HEXADECYL ACETATEhexadecanyl acetate
EINECS 211-103-7AI3-01025NSC-8492BRN 1782695DTXSID2052312PELEMOL CACHEBI:1461854Q43814HXS

データベース識別子

CAS
629-70-9
PubChem CID
12393
DTXSID
DTXSID2052312
ChEMBL
CHEMBL137354
ChEBI
CHEBI:146185
UNII
4Q43814HXS
EC Number
211-103-7
Nikkaji
J45.696I

物性

構造計算による物性

XLogP
7.7
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
16
重原子数
20

実験および物理化学的性質

Physical DescriptionLiquid; [Aldrich MSDS]
Kovats Retention Index · 3 件

2009；2010；2010；1994；1996；1976；1991.1；1984；1997；1990

2006.9；2010；2009；2009；2009；2013；2008；2010；1995；2003；2009；2009；2009；2010；2013；2008；2006；2011；2004；2005

2294；2309；2312；2312

物理化学的性質

融点
24.2 °C · 24.2°C
沸点
326.96 °C · 326.96°C (estimate)
比重(密度)
0.8672 · 0.8672 (estimate)
蒸気圧
0.005 Pa · 0.005Pa at 25℃
屈折率
1.4439 · 1.4439 (estimate)
貯蔵温度
20 °C · −20°C

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (214 of 214) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 214 of 214 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 214 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 214 of 214 reports by companies.；There are 0 notifications provided by 0 of 214 reports by companies with hazard statement code(s).；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.

危険有害性情報

Regulatory Information · 5 件

Chemical: 1-Hexadecanol, acetate

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17600

Cetyl acetate: 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 human health
Hazards SummaryA mild skin irritant; [RTECS] May cause irritation; [Aldrich MSDS] See n-Amyl acetate.
EPA Safer ChemicalChemical: Cetyl acetate； Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and CategoriesNot Classified

毒性情報

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

法規制情報

Regulatory Information · 5 件

Chemical: 1-Hexadecanol, acetate

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Status: Active Update: 07-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17600

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

安全データ

wgk
2
tsca
TSCA listed
rtecs
MM0225200

化学と産業

用途と製造

Uses · 2 件

CIR ingredient: Cetyl Acetate

Permitted for use as an inert ingredient in non-food pesticide products; [EPA]

Household ProductsInformation on 19 consumer products that contain Cetyl acetate in the following categories is provided:；• Personal Care
Use Classification · 3 件

EPA Safer Chemical Functional Use Classes -> Emollients;Skin Conditioning Agents

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Cosmetics -> Emollient

General Manufacturing Information1-Hexadecanol, 1-acetate: ACTIVE
応用分野 · 3 件

用途有機合成原料。

説明Palmityl acetate is an ester compound with a waxy odour. Palmityl acetate, an acetate ester derived from hexadecan-1-ol (palmityl alcohol), is used as an emollient, masking agent and skin conditioner. It can also be used as a plasticizer or stabilizer in producing plastics and resins. It is a pheromone constituent present in various species of mouse, arachnid and insect. It has a cosmetic role, as well as a pheromone and an epitope.

使用Hexadecyl Acetate is a plant sex pheromone.

調製方法

純化方法Distil the ester in a vacuum twice, then recrystallise it several times from diethyl ether/MeOH. [Beilstein 2 H 136, 2 II 146, 2 III 265, 2 IV 171.]

上流・下流製品情報

サプライヤー32 社

北京华美互利生物化工010-56205725 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

補足説明

定義本品は、酢酸(*)とセタノール(*)及びラノリンアルコール(*)のエステルである。参照表示名称：酢酸, セタノール, ラノリンアルコール

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