基本情報
- CAS
139-70-8- 標準SMILES
CC(C)=CCCC(C)CCOC(=O)Cc1ccccc1- InChIKey
CVJBFMVLVJZZMM-UHFFFAOYSA-N- 分子式
- C18H26O2
- 平均分子量
- 274.4 g/mol
- 単同位体質量
- 274.19328007
名称と識別子
- 優先名称
- Citronellyl phenylacetate
- IUPAC
- 3,7-dimethyloct-6-enyl 2-phenylacetate
- 現地名
- フェニル酢酸3,7-ジメチル-6-オクテニル
- 英語名
- FEMA 2315
- 分子式
- C18H26O2
- 分子量
- 274.4
名称と別名
Citronellyl phenylacetate139-70-8Citronellyl alpha-toluateFEMA No. 2315Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester3,7-Dimethyl-6-octen-1-yl phenylacetate3,7-DIMETHYLOCT-6-EN-1-YL 2-PHENYLACETATE3,7-Dimethyl-6-octenyl benzeneacetateBenzeneacetic acid, 3,7-dimethyl-6-octen-1-yl esterEINECS 205-373-5UNII-HH43UJ4D76ACETIC ACID, PHENYL-, 3,7-DIMETHYL-6-OCTENYL ESTER
名称をさらに表示
フェニル酢酸3,7-ジメチル-6-オクテニルシトロネリルフェニルアセタートシトロネリルフェニルアセテ-トフェニル酢酸ジメチルオクテニル3,7-ジメチルオクタ-6-エン-1-イル 2-フェニルアセタートFEMA 23154-Cresyl Phenylacetate Crystal3,7-Dimethyl-6-octylphenylacetate3,7-Dimethyl-6-octenylphenylacetat3,7-dimethyl-6-octenyl phenylacetate3,7-dimethyloct-6-enyl 2-phenylacetate3,7-dimethyloct-6-enyl 2-phenylethanoate
HH43UJ4D76PHENYLACETIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTERDTXSID90861804CITRONELLYL .ALPHA.-TOLUATECITRONELLYL PHENYLACETATE [FHFI]6-OCTEN-1-OL, 3,7-DIMETHYL-, PHENYLACETATERefChem:126599DTXCID40810680
データベース識別子
- CAS
139-70-8- PubChem CID
- 8767
- DTXSID
DTXSID90861804- UNII
- HH43UJ4D76
- EC Number
- 205-373-5
- Nikkaji
- J74.799H
物性
構造計算による物性
- XLogP
- 5.4
- 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
- 9
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 297
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
FragrancesFragrance Ingredient (Citronellyl phenylacetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.958-0.960
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
342.00 °C. @ 760.00 mm Hg
342 °C
Refractive Index1.492-1.510
Physical DescriptionColourless, somewhat viscous liquid; sweet-herbaceous-rosy, yet heavy and very tenacious odour, reminiscent of the petals of roses
物理化学的性質
- 沸点
- 377.38 °C · 377.38°C (rough estimate)
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 100% (91 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester: ACTIVE
上流・下流製品情報
上流原料
サプライヤー17 社
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
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