基本情報
- CAS
61792-11-8- 標準SMILES
CCC(C)=CCCC(C)=CC#N- InChIKey
DHJVLXVXNFUSMU-UHFFFAOYSA-N- 分子式
- C11H17N
- 平均分子量
- 163.26 g/mol
- 単同位体質量
- 163.13609954
名称と識別子
- 優先名称
- 3,7-Dimethyl-2,6-nonadienenitrile
- IUPAC
- 3,7-dimethylnona-2,6-dienenitrile
- 現地名
- 3,7-ジメチル-2,6-ノナジエンニトリル
- 英語名
- 3,7-Dimethyl-2,6-nonadienenitrile
- 分子式
- C11H17N
- 分子量
- 163.26
名称と別名
3,7-Dimethylnona-2,6-dienenitrileLemonile3,7-Dimethyl-2,6-nonadienenitrile2,6-Nonadienenitrile, 3,7-dimethyl-EINECS 263-214-5UNII-B8MK5EZU56B8MK5EZU56DTXSID1052296EC 263-214-5RefChem:91882DTXCID103086861792-11-8
名称をさらに表示
3,7-ジメチル-2,6-ノナジエンニトリル３，７ジメチル２，６ノナジエンニトリルLemonilLemonile 65702033,7-Dimethyl-2,6-non3,7-dimethyl-6-nonadienenitrile3,7-Dimethylnona-2,6-diennitril6-Nonadienenitrile,3,7-dimethyl-2
HOMOGERANYL NITRILESCHEMBL2339773,7-dimethyl-2,6-nonadien-1-nitrileDB-073012
データベース識別子
- CAS
61792-11-8- PubChem CID
- 112446
- DTXSID
DTXSID1052296- EC Number
- 263-214-5
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 23.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 225
実験および物理化学的性質
FragrancesFragrance Ingredient (3,7-Dimethyl-2,6-nonadienenitrile) -> IFRA transparency List
Physical DescriptionCBI; Liquid
物理化学的性質
- 沸点
- 280.37 °C · 280.37°C (rough estimate)
- 比重(密度)
- 0.8882 · 0.8882 (rough estimate)
- 蒸気圧
- 1.7 Pa · 1.7Pa at 20℃
- 屈折率
- 1.46 · 1.4600 (estimate)
- 臭い (Odor)
- 10 %。レモンコロンメタリック · ジプロピレングリコール中10.00%。レモンコロンメタリック
- においのタイプ
- 柑橘類
- 水溶解度
- 42 mg/L · 42mg/L at 20℃
- 化粧品成分の機能
- 香料
- LogP
- 3.2 at · 3.2 at 35℃
- EPAの化学物質情報
- 2 · 2,6-Nonadienenitrile, 3,7-dimethyl- (61792-11-8)
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 11.3% (210 of 1853) of reports.
H411 (88.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1853 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 2,6-Nonadienenitrile, 3,7-dimethyl-
2,6-Nonadienenitrile, 3,7-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Nonadienenitrile, 3,7-dimethyl- 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)
Status: Active Update: 18-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11681
2,6-Nonadienenitrile, 3,7-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (88.7%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesOther
Industry UsesOther
Household ProductsInformation on 43 consumer products that contain 3,7-Dimethyl-2,6-nonadienenitrile in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
2,6-Nonadienenitrile, 3,7-dimethyl-: ACTIVE
応用分野
使用3,7-Dimethyl-2,6-nonadienenitrile compound in perfume for cosmetics and household products.
サプライヤー37 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Syntechem Co.,Ltd[email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
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