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リシノール酸 エチル

Ethyl Ricinoleate

HCID 6437405
ノート反応
基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
55066-53-0
標準SMILES
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC
InChIKey
AZXVZUBIFYQWJK-KWRJMZDGSA-N
分子式
C20H38O3
平均分子量
326.5 g/mol
単同位体質量
326.28209507

名称と識別子

優先名称
Ethyl Ricinoleate
IUPAC
ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
現地名
リシノール酸 エチル
英語名
Ricinoleic acid ethyl ester
分子式
C20H38O3
分子量
326.51

名称と別名

Ethyl ricinoleate55066-53-0UNII-G8Y3BN2GRWG8Y3BN2GRW9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (9Z,12R)-RICINOLEATE D'ETHYLEEINECS 259-462-9Ricinoleic acid, ethyl ester(+)-ETHYL RICINOLEATE9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (R-(Z))-DTXSID808861279-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-
名称をさらに表示
リシノール酸 エチル(9Z,12R)-12-ヒドロキシ-9-オクタデセン酸エチル(12R,9Z)-12-ヒドロキシ-9-オクタデセン酸エチルリシノール酸エチルエチル=(9Z,12R)-12-ヒドロキシオクタデカ-9-エノアートエチル (9Z,12R)-12-ヒドロキシオクタデカ-9-エノアートNeoricinRicinoleicEthyl 9-OctadecenoateRIZINOLSAEURE-ETHYLESTEREthyl-(R)-12-hydroxyoleatethyl (R)-12-hydroxyoleateRICINOLIC ACID ETHYL ESTER(R)-ricinolicacidethylester
9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (theta-(Z))-RefChem:139054ETHYL RICINOLEATE [INCI]DTXCID601025469259-462-9AZXVZUBIFYQWJK-KWRJMZDGSA-NRicinoleic acid ethyl esterethyl (Z,12R)-12-hydroxyoctadec-9-enoate

データベース識別子

CAS
55066-53-0
PubChem CID
6437405
DTXSID
DTXSID80886127
UNII
G8Y3BN2GRW
EC Number
259-462-9
Nikkaji
J208.933E

物性

構造計算による物性

XLogP
6.4
極性表面積
46.5 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
17
重原子数
23
形式電荷
0
複雑度
287

実験および物理化学的性質

CosmeticsCosmetic ingredients (Ethyl Ricinoleate) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (Ethyl ricinoleate) -> IFRA transparency List

物理化学的性質

沸点
258 °C · 258 °C / 13mmHg
比重(密度)
0.92 · 0.92
屈折率
1.4618 · 1.4618 (estimate)
貯蔵温度
20 °C · −20°C
溶解性
50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 100 mg/ml; Ethanol:PBS (pH 7.2): 0.5 mg/ml
酸解離定数(Pka)
15.1 · 15.10±0.20(Predicted)
外見
clear liquid
色
Colorless to Light yellow to Light orange
臭い (Odor)
Very faint “oily” odor when pure.
化粧品成分の機能
スキンコンディショニング香料
LogP
6.695 · 6.695 (est)
CAS データベース
55066 · 55066-53-0(CAS DataBase Reference)
EPAの化学物質情報
9 · 9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (9Z,12R)- (55066-53-0)

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 · 3 件

This chemical does not meet GHS hazard criteria for 98.9% (90 of 91) of all reports.

Not Classified

Aggregated GHS information provided per 91 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: 9-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-

9-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified

毒性情報

Toxicity Summary · 2 件

Safe 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

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of ethyl ricinoleate as described in this fragrance ingredient safety assessment. It is not genotoxic. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the Threshold of Toxicological Concern (TTC) for a Cramer Class I material, and the exposure is below the TTC. Data from read-across analog 9-octadecenoic acid, 12-hydroxy-, methyl ester show that there are no safety concerns for for skin sensitization under the current declared levels of use. Ethyl ricinoleate is not expected to be photoirritating/photoallergenic based on evaluation of the ultraviolet/visible (UV/Vis) spectra.

化学と産業

用途と製造

UsesCIR ingredient: Ethyl Ricinoleate
Use ClassificationFragrance Ingredients
General Manufacturing Information9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (9Z,12R)-: ACTIVE
応用分野 · 1 件

使用Occasionally used in perfume compositions, mainly as a component of artificial flower absolutes, etc. or in various places to introduce a natural oily note of lasting effect. The ester is also used in flavor compositions for a similar purpose.

上流・下流製品情報

下流製品

10-ウンデセン酸エチル

サプライヤー41 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

関連反応

1 件
反応記録を作成
HRID 1291690 の反応式
HRID 1291690反応物としてuspto-grants-1998_05

化合物ノート

読み込み中…

このページの内容基本情報名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
Environmental Fate/Exposure Summary · 1 件

The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of ethyl ricinoleate as described in this fragrance ingredient safety assessment. It was found not to be Persistent, Bioaccumulative, and Toxic (PBT) according to the International Fragrance Association (IFRA) Environmental Standards. Its risk quotients, based on its current volume of use (VoU) in Europe, North America, Asia-Pacific, and South America are less than 1.

安全データ

wgk
2
tsca
TSCA listed
hs_code
2918.19.9000
化審法
(2)-1332
消防法
危-4-4-III
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Dr. J. Pharmachem (India)+91 20 24332987 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]