酢酸(2,6-ジメチル-7-オクテン)-2-イル
2,6-Dimethyl-7-octen-2-yl acetate
基本情報
- CAS
53767-93-4- 標準SMILES
C=CC(C)CCCC(C)(C)OC(C)=O- InChIKey
BEARMGATPGLSKG-UHFFFAOYSA-N- 分子式
- C12H22O2
- 平均分子量
- 198.3 g/mol
- 単同位体質量
- 198.16197994
概要
structure in first source
名称と識別子
- 優先名称
- 2,6-Dimethyl-7-octen-2-yl acetate
- IUPAC
- 2,6-dimethyloct-7-en-2-yl acetate
- 現地名
- 酢酸(2,6-ジメチル-7-オクテン)-2-イル
- 英語名
- Dihydromyrcenyl acetate
- 分子式
- C12H22O2
- 分子量
- 198.3
名称と別名
Dihydromyrcenyl acetate2,6-Dimethyloct-7-en-2-yl acetate53767-93-42,6-Dimethyl-7-octen-2-yl acetateW9O6R2H72I7-Octen-2-ol, 2,6-dimethyl-, acetateDTXSID4052182RefChem:587762DTXCID4030752258-751-77-Octen-2-ol, 2,6-dimethyl-, 2-acetateUNII-W9O6R2H72I
名称をさらに表示
酢酸(2,6-ジメチル-7-オクテン)-2-イル2,6-ジメチル-7-オクテン-2-オールアセタート2，6-ジメチルオクタ-7-エン-2-イル＝アセタートDihydromDIHYDROMYRCENYLACETATDihydromyrcenalacetate2,6-dimethyl-7-octen-2-oacetate2,6-Dimethyloct-7-en-2-ylacetat2,6-Dimethyl-7-octen-2-ol acetate
6,10-Dihydromyrcenyl acetateSCHEMBL1582572,6-Dimethyl-7octen-2-yl acetateEINECS 258-751-7DB-052396NS00012253Q27292505
データベース識別子
- CAS
53767-93-4- PubChem CID
- 103826
- DTXSID
DTXSID4052182- UNII
- W9O6R2H72I
- EC Number
- 258-751-7
- Nikkaji
- J296.040K
物性
構造計算による物性
- XLogP
- 3.4
- 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
- 7
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 194
実験および物理化学的性質
FragrancesFragrance Ingredient (Dihydromyrcenyl acetate) -> IFRA transparency List
物理化学的性質
- 沸点
- 213 · 213-218 °C(lit.)
- 比重(密度)
- 0.873 g/mL · 0.873 g/mL at 25 °C(lit.)
- 蒸気圧
- 14.4 Pa · 14.4Pa at 24℃
- 屈折率
- 20 · n20/D 1.4318(lit.)
- 闪点
- 195 °F · 195 °F
- 溶解性
- Almost insoluble in water, soluble in alcohol and oils
- 色
- Colourless mobile liquid
- 臭い (Odor)
- 100 %で。シトラス · 100.00%で。シトラス ベルガモット ライム ラベンダー
- においのタイプ
- 柑橘類
- 水溶解度
- 6.1 mg/L · 6.1mg/L at 24℃
- 化粧品成分の機能
- 香料
- LogP
- 4.9 at · 4.9 at 25℃
- EPAの化学物質情報
- 7 · 7-Octen-2-ol, 2,6-dimethyl-, acetate (53767-93-4)
化学的性質
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 14.6% (231 of 1584) of reports.
H411 (85.4%): 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 1584 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 7-Octen-2-ol, 2,6-dimethyl-, acetate
REACH registered substance: 2,6-dimethyloct-7-en-2-yl acetate (EC: 258-751-7)
7-Octen-2-ol, 2,6-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 2 (85.4%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing Information7-Octen-2-ol, 2,6-dimethyl-, 2-acetate: ACTIVE
応用分野
使用Dihydro-myrcenol acetate is more stable than Myrcenyl acetate, which tends to polymerize upon standing. It is not quite as powerful and does not give the same effect as soap (perfume). But it has a different odour character, is more citrusy fresh, and is more interesting for modern versions of the “Continental” style Citrus-cologne. It will also support the Lime notes in Lime or Lime-Lemon fragrances, a very modern and much-demanded type in recent years (1967- 68). Novel effects in Jasmin bases are also achieved with this ester.
関連反応
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化合物ノート
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