基本情報
- CAS
62439-41-2- 標準SMILES
COC(C)(C)CCCC(C)C=O- InChIKey
QMXBURPYNWBMJR-UHFFFAOYSA-N- 分子式
- C10H20O2
- 平均分子量
- 172.26 g/mol
- 単同位体質量
- 172.14632988
名称と識別子
- 優先名称
- (+-)-6-Methoxy-2,6-dimethylheptanal
- IUPAC
- 6-methoxy-2,6-dimethylheptanal
- 現地名
- 6-メトキシ-2,6-ジメチルヘプタナール
- 英語名
- Methoxymelonal
- 分子式
- C10H20O2
- 分子量
- 172.26
名称と別名
6-methoxy-2,6-dimethylheptanal6-Methoxy-2,6-dimethylheptan-1-alMethoxy dimethyl heptanalHeptanal, 6-methoxy-2,6-dimethyl-K4F39MF7SFUNII-K4F39MF7SFEINECS 263-545-5DTXSID3052303FEMA NO. 4745RefChem:196337DTXCID0030875(+-)-6-Methoxy-2,6-dimethylheptanal
名称をさらに表示
6-メトキシ-2,6-ジメチルヘプタナール6-methoxy-2,6-dimethyl-heptana6-METHOXY-2,6-DIMETHYL HEPTANAL6-Methoxy-2,6-dimethylheptanal >=95%, stabilized
Methoxymelonal62439-41-2(+/-)-6-Methoxy-2,6-dimethylheptanalSCHEMBL225537AKOS006280054NS00012825
データベース識別子
- CAS
62439-41-2- PubChem CID
- 112491
- DTXSID
DTXSID3052303- UNII
- K4F39MF7SF
- EC Number
- 263-545-5
- Nikkaji
- J307.044A
物性
構造計算による物性
- XLogP
- 1.8
- 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
- 6
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 130
実験および物理化学的性質
FragrancesFragrance Ingredient (6-Methoxy-2,6-dimethylheptan-1-al) -> IFRA transparency List
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 219.5 · 219.5±23.0 °C(Predicted)
- 比重(密度)
- 0.871 · 0.871±0.06 g/cm3(Predicted)
- FEMA
- 4745 · 4745 | (+/-)-6-METHOXY-2,6-DIMETHYLHEPTANAL
- 臭い (Odor)
- 100 %で。フローラル · 100.00%で。フローラル フルーティー ウォータリー シトラス メロン グリーン
- においのタイプ
- 花柄
- JECFA Number
- 2308 · 2308
- 化粧品成分の機能
- 香料
- InChI
- InChI=1S/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3
- InChIKey
- QMXBURPYNWBMJR-UHFFFAOYSA-N
- SMILES
- C(=O)C(C)CCCC(OC)(C)C
- LogP
- 1.856 · 1.856 (est)
- EPAの化学物質情報
- 6 · Heptanal, 6-methoxy-2,6-dimethyl- (62439-41-2)
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 3.6% (53 of 1453) of reports.
Warning
H317 (96.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1453 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Heptanal, 6-methoxy-2,6-dimethyl-
Heptanal, 6-methoxy-2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Heptanal, 6-methoxy-2,6-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)
Heptanal, 6-methoxy-2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1B (96.4%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2020: 15 lb
Consumer UsesFragrance
Household ProductsInformation on 17 consumer products that contain 6-Methoxy-2,6-Dimethylheptanal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationHeptanal, 6-methoxy-2,6-dimethyl-: ACTIVE
サプライヤー19 社
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Aladdin Scientific[email protected]
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Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
関連反応
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化合物ノート
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