基本情報
- CAS
17511-60-3- 標準SMILES
CCC(=O)OC1CC2CC1C1CC=CC21- InChIKey
BLBJUGKATXCWET-UHFFFAOYSA-N- 分子式
- C13H18O2
- 平均分子量
- 206.28 g/mol
- 単同位体質量
- 206.13067981
名称と識別子
- 優先名称
- Tricyclodecenyl propionate
- IUPAC
- 8-tricyclo[5.2.1.02,6]dec-3-enyl propanoate
- 現地名
- 3a,4,5,6,7,7a-ヘキサヒドロ-4,7-メタノ-1H-インデン-6-オールプロピオナート
- 英語名
- HERBAL PROPIONATE
- 分子式
- C13H18O2
- 分子量
- 206.28
名称と別名
17511-60-3Tricyclodecenyl propionateCyclaprop3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl propionate4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoateS3ASM14UASEINECS 241-514-74,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-propanoateBRN 1959792hexahydro-4,7-methanoinden-6-yl propionateHexahydro-4,7-methanoinden-5(or 6)-yl propionateTricyclo(5.2.1.02,6)dec-3-en-8-yl propionate
名称をさらに表示
3a,4,5,6,7,7a-ヘキサヒドロ-4,7-メタノ-1H-インデン-6-オールプロピオナートエリカプロピオネ-トトリシクロ[5.2.1.02,6]デカ-3-エン-8-イル プロパノアートVERDYL PROPIONATEHERBYL PROPIONATETricyclodeceneHERBAL PROPIONATEHerbal propionatEeAcid ester ring decene
DTXSID80363123a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-6-yl propionate3a,4,5,6,7,7a-Hexahydro-4,7-methanoindene-6-carboxylic acid ethyl ester4,7-Methanoindene-6-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-, ethyl esterflorocycleneGREENYL PROPIONATERefChem:899373CYCLOVERDOL PROPIONATE
データベース識別子
- CAS
17511-60-3、68912-13-0- PubChem CID
- 86579
- DTXSID
DTXSID8036312- UNII
- S3ASM14UAS
- EC Number
- 241-514-7
- Nikkaji
- J287.068A
物性
構造計算による物性
- XLogP
- 2.6
- 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
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 308
実験および物理化学的性質
Fragrances
Fragrance Ingredient (3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate (mixture of isomers)) -> IFRA transparency List
Fragrance Ingredient (Tricyclodecenyl propionate) -> IFRA transparency List
Physical Description
CBI; Dry Powder; Liquid; Liquid
Liquid; CBI; Other Solid
物理化学的性質
- 沸点
- 305.14 °C · 305.14°C (rough estimate)
- 比重(密度)
- 1.0176 · 1.0176 (rough estimate)
- 屈折率
- 1.486 · 1.4860 (estimate)
- 臭い (Odor)
- 100 %で。フルーティ · 100.00%で。フルーティ ハーブ ウッディ ジャスミン オイリー バジル
- においのタイプ
- ハーブ
- 化粧品成分の機能
- デオドラント香料香料
- InChI
- InChI=1S/C13H18O2/c1-2-13(14)15-12-7-8-6-11(12)10-5-3-4-9(8)10/h3-4,8-12H,2,5-7H2,1H3
- InChIKey
- BLBJUGKATXCWET-UHFFFAOYSA-N
- SMILES
- C1C2C(C3CC2C(OC(=O)CC)C3)C=C1
- LogP
- 3.628 · 3.628 (est)
- EPAの化学物質情報
- 4 · 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate (17511-60-3)
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
Warning
H319 (72.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1818 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
危険有害性情報
Regulatory Information
Chemical: 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate
Chemical: 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, propanoate
4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, propanoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, propanoate 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)
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-propanoate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-propanoate 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)
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Tricyclodecenyl propionate: 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.
Hazard Classes and Categories
Eye Irrit. 2 (72.9%)
Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects)
安全データ
化学と産業
用途と製造
U.S. Production
2023: 10,000,000 - <25,000,000 lb
2023: 400,000 - <550,000 lb
Consumer Uses
Other
Fragrance
Industry Uses
Other
Fragrance
Household Products
Information on 172 consumer products that contain Tricyclodecenyl Propionate in the following categories is provided:
Information on 143 consumer products that contain Hexahydro-Methanoindenyl Propionate in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Wholesale and Retail Trade
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, 6-propanoate: ACTIVE
4,7-Methano-1H-indenol, 3a,4,5,6,7,7a-hexahydro-, propanoate: ACTIVE
上流・下流製品情報
上流原料
サプライヤー100 社
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd
関連反応
1 件
化合物ノート
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