CAS 1160173-26-1 Menthone 1,2-glycerol ketal, (-)- (HCID 9964606)

部分構造検索類似構造を探す

基本情報

CAS: 1160173-26-1
標準SMILES: CC(C)[C@@H]1CC[C@@H](C)CC12OCC(CO)O2
InChIKey: ZBJCYZPANVLBRK-IGJPJIBNSA-N
分子式: C13H24O3
平均分子量: 228.33 g/mol
単同位体質量: 228.17254462

概要

L-Menthone 1,2-glycerol ketal is a p-menthane monoterpenoid.

名称と識別子

優先名称: Menthone 1,2-glycerol ketal, (-)-
IUPAC: [(6S,9R)-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl]methanol

名称と別名

Frescolat, type MGAL-Menthone glycerol ketalFEMA no. 3807(-)-Menthone 1,2-glycerol ketalUNII-7V7GIB547YMenthone 1,2-glycerol ketal, (-)-7V7GIB547Y577746-42-01,4-Dioxaspiro(4.5)decane-2-methanol, 9-methyl-6-(1-methylethyl)-, (6S,9R)-L-Menthone-1,2-glycerol ketalDTXSID90206458563187-91-7

名称をさらに表示

RefChem:201620DTXCID90128949(-)-MENTHONE (+-)-1,2-GLYCEROL KETAL63187-91-7L-Menthone 1,2-glycerol ketal(-)-Menthone (+/-)-1,2-glycerol ketal[(6S,9R)-9-methyl-6-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-yl]methanol1-Menthone glycerol ketal

データベース識別子

CAS: 1160173-26-1、577746-42-0、63187-91-7
PubChem CID: 9964606
DTXSID: DTXSID901357388
ChEBI: CHEBI:172527
UNII: 7V7GIB547Y
EC Number: 408-200-3、613-178-5

物性

構造計算による物性

XLogP: 2.5
極性表面積: 38.7 Å²
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: 2
重原子数: 16
形式電荷: 0
複雑度: 241

実験および物理化学的性質

CosmeticsRefreshing

FragrancesFragrance Ingredient (d,l-Menthone 1,2-glycerol ketal) -> IFRA transparency List

Food Additives · 2 件

FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density · 2 件

1.0306

1.0308

Flavoring Agents · 2 件

EU Flavoring substances

Solubility · 4 件

soluble in water, olive oil <15% and almond oil 1% w/w

(in ethanol)

soluble in water, olive oil <15% and almond oil 1% w/w

(in ethanol)

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.7% (11 of 1544) of reports.

Danger

H315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,4-Dioxaspiro[4.5]decane-2-methanol, 9-methyl-6-(1-methylethyl)-

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: 2-hydroxymethyl-9-methyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decane (EC: 408-200-3)

1,4-Dioxaspiro4.5decane-2-methanol, 9-methyl-6-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4 件

Skin Irrit. 2 (100%)

Skin Irrit. 2 (99.3%)

Skin irritation - category 2

Skin Irrit. 2

化学と産業

用途と製造

Household ProductsInformation on 5 consumer products that contain Menthone 1,2-glycerol ketal in the following categories is provided:

Use Classification · 6 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index