基本情報
- CAS
29895-73-6- 標準SMILES
OCC1COC(Cc2ccccc2)O1- InChIKey
ZPENOSKWEKGDCX-UHFFFAOYSA-N- 分子式
- C11H14O3
- 平均分子量
- 194.23 g/mol
- 単同位体質量
- 194.0942943
概要
2-Benzyl-5-hydroxymethyl-1,3-dioxolane is a member of benzenes.
名称と識別子
- 優先名称
- 2-(Phenylmethyl)-1,3-dioxolane-4-methanol
- IUPAC
- (2-benzyl-1,3-dioxolan-4-yl)methanol
- 現地名
- 2-ベンジル-1,3-ジオキソラン-5-メタノール
- 英語名
- 2-benzyl-1,3-dioxolan-4-ylmethanol
- 分子式
- C11H14O3
- 分子量
- 194.22706
名称と別名
5694-72-41,3-Dioxolane-4-methanol, 2-(phenylmethyl)-4-Hydroxymethyl-2-benzyl-1,3-dioxolane1,3-DIOXOLANE-4-METHANOL, 2-BENZYL-BD92587FZX2-(Phenylmethyl)-1,3-Dioxolane-4-methanolDTXSID201014563FEMA NO. 2877, 1,3-DIOXOLANE-RefChem:1061982DTXCID0030538227-164-8Phenylacetaldehyde glyceryl acetal
名称をさらに表示
2-ベンジル-1,3-ジオキソラン-5-メタノール2-ベンジル-1,3-ジオキソラン-4-メタノール1,2-hyacinth acetal2-benzyl-3-dioxolane-4-methanolPHENYLACETALDEHYDEGLYCEROLACETAL2-Benzyl-1,3-dioxolane-4-methanol1,3-DIOXOLANE-4-METHANOL,2-BENZYL-2-benzyl-4-hydroxymethyl-3-dioxolane2-(phenylmethyl)-3-dioxolane-4-methanol4-(Hydroxymethyl)-2-benzyl-1,3-dioxolane
(2-benzyl-1,3-dioxolan-4-yl)methanol29895-73-6FEMA 28772-Benzyl-1,3-dioxolan-4-ylmethanol2-Benzyl-4-hydroxymethyl-1,3-dioxolane2-Benzyl-4-methanol-1,3-dioxane2-Benzyl-4-hydroxymethyl-1,3-dioxaneFEMA No. 2877
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 38.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 166
実験および物理化学的性質
FragrancesFragrance Ingredient (Phenylacetaldehyde glyceryl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.158-1.168
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point358 °C
Refractive Index1.524-1.536
Physical DescriptionColourless viscous liquid; very faint, sweet-green rosy odour
物理化学的性質
- 沸点
- 290.67 °C · 290.67°C (rough estimate)
- 比重(密度)
- 1.113 · 1.1130 (rough estimate)
- 屈折率
- 1.503 · 1.5030 (estimate)
- 酸解離定数(Pka)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1839 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-
Chemical: Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Benzeneacetaldehyde, cyclic acetal with glycerol (EC: 249-934-2)
Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol: Does not have an individual approval but may be used under an appropriate group standard
1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
安全データ
- tsca
- TSCA listed
- 毒性
- skn-rbt 500 mg/24H MOD FCTXAV 14,829,76
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Household ProductsInformation on 1 consumer products that contain Phenylacetaldehyde Glyceryl Cyclic Acetals in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
1,3-Dioxolane-4-methanol, 2-(phenylmethyl)-: ACTIVE
Benzeneacetaldehyde, cyclic acetal with 1,2,3-propanetriol: ACTIVE
サプライヤー30 社
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