2,2-ジメチル-1,3-ジオキソラン-4-メタノール

2,2-ジメチル-1,3-ジオキソラン-4-メタノール · グリセロールアセトン · アセトングリセロール · 2,2-ジメチル-1,3-ジオキソラン-5-メタノール · 1,2-イソプロピリデングリセロール · 1-O,2-O-イソプロピリデン-sn-グリセロール · ソルケタール · 2,2-ジメチル-4-ヒドロキシメチル-1,3-ジオキソラン

https://huagongshe.com/ja/chemical/7528

識別子と物理属性

CAS No.	100-79-8
分子式	C6H12O3
平均分子量	132.16 g/mol
単同位体質量	132.07864424 g/mol
SMILES	CC1(C)OCC(CO)O1
InChIKey	RNVYQYLELCKWAN-UHFFFAOYSA-N
PubChem CID	7528
ChEMBL	CHEMBL3342436
EC No.	202-888-7
DTXSID	DTXSID9021845
現地名	2,2-ジメチル-1,3-ジオキソラン-4-メタノール

化学・物理的性質

XLogP	-0.2
極性表面積	38.7
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	1
重原子数	9
形式電荷	0
複雑度	100
物質分類	Industrial compound
Solvents	Solvents -> Other Solvents
香料	Fragrance Ingredient (1,3-Dioxolane-4-methanol, 2,2-dimethyl) -> IFRA transparency List
密度	Relative density (water = 1): 1.061.065 @25 °C1.066 g/mL at 20 °C(lit.)
溶解度	Solubility in water: miscible172g/l 可溶混和性
引火点	80 °C c.c.176 °F
Animal Drugs	Pharmaceuticals -> UK Veterinary Medicines Directorate List
沸点	188-189 °C75 °C @760 [mm Hg]189-191 °C
融点	-26.4 °C-27℃
蒸気密度	Relative vapor density (air = 1): 4.6
蒸気圧	107.0 [mmHg]70 [mm Hg] @20 °C34Pa at 20℃
Food Contact Substances	FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
屈折率	n20/D 1.434
貯蔵条件	Sealed in dry,2-8°C
外観・状態	液体
pKa（酸解離定数）	14.20±0.10(Predicted)
色	無色透明
pH	4.0-7.5 (H2O)
Merck	14,5213
BRN	104465
化粧品成分の機能	ヘアコンディショニング
InChI	1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
InChIKey	RNVYQYLELCKWAN-UHFFFAOYSA-N
SMILES	CC1(C)OCC(CO)O1
LogP（分配係数）	0.3 at 20℃
CAS データベース	100-79-8(CAS DataBase Reference)
NISTの化学物質情報	1,3-Dioxolane-4-methanol, 2,2-dimethyl-(100-79-8)
EPAの化学物質情報	1,3-Dioxolane-4-methanol, 2,2-dimethyl- (100-79-8)

化学的特性

clear colourless liquid

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 2% (7 of 353) of reports.WarningH315 (14.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 353 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
規制情報	Chemical: 1,3-Dioxolane-4-methanol, 2,2-dimethyl-1,3-Dioxolane-4-methanol, 2,2-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Dioxolane-4-methanol, 2,2-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)Status: Active Update: 24-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/12258Isopropylidene glycerol: Does not have an individual approval but may be used under an appropriate group standard
火災危険	Combustible. Above 80 °C explosive vapour/air mixtures may be formed.
有害性の概要	An eye irritantCauses change in heart rate and blood pressure in intravenous lethal-dose studies of rats and rabbits[RTECS] An eye irritant[ICSC] May cause irritation[Alfa Aesar MSDS] See 1,3-Dioxolane.
EPA Safer Chemical	Chemical: 2,2-dimethyl-1,3-Dioxolane-4-methanol
Chemical Dangers	Reacts with oxidants.
Hazard Classes and Categories	Skin Irrit. 2 (14.7%)
消火	Use water spray, alcohol-resistant foam, carbon dioxide.
応急処置措置	Remove contaminated clothes. Rinse skin with plenty of water or shower.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting.

用途

使用

Solketal is useful for synthesis of mono-, di- and triglycerides. It is used as the starting reagent for synthesis of tulipaline derivatives. It acts as a fuel additive in gasoline. It is an inhibitor of Methyl ethyl ketone .

一般的な説明

DL-1,2-Isopropylideneglycerol undergoes effective isopropylidenation and deprotection reaction catalyzed by phosphotungstic acid.