基本情報
- CAS
62346-96-7- 標準SMILES
CC(=O)OCc1ccc(C)cc1C- InChIKey
IRJIWPLWQGRUAY-UHFFFAOYSA-N- 分子式
- C11H14O2
- 平均分子量
- 178.23 g/mol
- 単同位体質量
- 178.09937969
概要
structure in first source
名称と識別子
- 優先名称
- Benzenemethanol, 2,4-dimethyl-, 1-acetate
- IUPAC
- (2,4-dimethylphenyl)methyl acetate
- 現地名
- 2,4-ジメチルベンゼンメタノールアセタート
- 英語名
- 2,4-dimethylbenzyl acetate
- 分子式
- C11H14O2
- 分子量
- 178.23
名称と別名
2,4-Dimethylbenzyl acetate62346-96-72,4-Dimethylbenzenemethanol acetateBenzyl alcohol, 2,4-dimethyl-, acetateBenzenemethanol, 2,4-dimethyl-, 1-acetateNSC-78658VXC85SXW68DTXSID8052302RefChem:82529DTXCID5030874263-518-8(2,4-dimethylphenyl)methyl acetate
名称をさらに表示
酢酸2,4-ジメチルベンジル2,4-ジメチルベンゼンメタノールアセタート2，4ジメチルベンジルアセテ-トNSC 78658TUFUROLACETAT, IFF2,4-DimethylbenzylacetatAcetic acid 2,4-dimethylbenzyl ester
Benzenemethanol, 2,4-dimethyl-, acetateTufurol acetateEINECS 263-518-8BRN 2503845AI3-21160NCIOpen2_0008712,4-dimethyl benzyl acetate4-06-00-03250 (Beilstein Handbook Reference)
データベース識別子
- CAS
62346-96-7- PubChem CID
- 94602
- DTXSID
DTXSID8052302- UNII
- VXC85SXW68
- EC Number
- 263-518-8
- Nikkaji
- J71.668E
物性
構造計算による物性
- XLogP
- 2.3
- 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
- 13
- 形式電荷
- 0
- 複雑度
- 177
実験および物理化学的性質
FragrancesFragrance Ingredient (2,4-Dimethylbenzyl acetate) -> IFRA transparency List
物理化学的性質
- 沸点
- 65 · 65-72℃ (0.1 Torr)
- 比重(密度)
- 1.0292 · 1.0292 (rough estimate)
- 屈折率
- 1.504 · 1.5040 (589.3 nm 25℃)
- 溶解性
- Almost insoluble in water, soluble in alcohol and oils
- 色
- Colorless liquid
- 臭い (Odor)
- Powerful, sweet-floral, rather fresh and somewhat fruit odor of moderate tenacity.
- 化粧品成分の機能
- 香料
- LogP
- 2.992 · 2.992 (est)
- EPAの化学物質情報
- 2 · Benzenemethanol, 2,4-dimethyl-, acetate (62346-96-7)
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 60.7% (54 of 89) of all reports.
Warning
H315 (39.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationChemical: Benzenemethanol, 2,4-dimethyl-, acetate
Other Safety InformationIMAP assessments - Benzenemethanol, 2,4-dimethyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (39.3%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenemethanol, 2,4-dimethyl-, 1-acetate: ACTIVE
応用分野
使用2,4-dimethylbenzyl acetate has been suggested for use in perfume compositions, mainly as a modifier for Benzyl acetate in Jasmin bases, where better tenacity is desirable. Also in general as a floral-fruity body for partial substitution of Benzyl acetate, or as a modifier for the so-called Tolyl acetate (Methyl benzyl acetate).
サプライヤー10 社
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BOC Sciences+1-631-485-4226 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
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