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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 31339作成日：2026年11月3日

6-O-アセチル-1-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-β-D-フルクトフラノシル6-O-アセチル-2-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-α-D-グルコピラノシド

6-O-アセチル-1-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-β-D-フルクトフラノシル6-O-アセチル-2-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-α-D-グルコピラノシド · [6-O-アセチル-1-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-β-D-フルクトフラノシル]-α-D-グルコピラノシド6-アセタート2,3,4-トリス(2-メチルプロピオナート) · シュクロースジアセタートヘキサイソブチラート · しょ糖ジアセタートヘキサイソブチラート · しょ糖酢酸イソ酪酸エステル · スクロースジアセタートヘキサイソブチラート · イソ酪酸酢酸スクロース 溶液 · [(2S,3S,4R,5R)-5-[(アセチルオキシ)メチル]-2-{[(2R,3R,4S,5R,6R)-6-[(アセチルオキシ)メチル]-3,4,5-トリス[(2-メチルプロパノイル)オキシ]オキサン-2-イル]オキシ}-3,4-ビス[(2-メチルプロパノイル)オキシ]オキソラン-2-イル]メチル 2-メチルプロパノアート

https://huagongshe.com/ja/chemical/31339

6-O-アセチル-1-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-β-D-フルクトフラノシル6-O-アセチル-2-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-α-D-グルコピラノシド の分子構造式

識別子と物理属性

CAS No.126-13-6
分子式C40H62O19
平均分子量846.9 g/mol
単同位体質量846.38852974 g/mol
SMILESCC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]2OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
InChIKeyUVGUPMLLGBCFEJ-SWTLDUCYSA-N
PubChem CID31339
ChEBICHEBI:177717
EC No.204-771-6
現地名6-O-アセチル-1-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-β-D-フルクトフラノシル6-O-アセチル-2-O,3-O,4-O-トリス(2-メチル-1-オキソプロピル)-α-D-グルコピラノシド

化学・物理的性質

XLogP5.3
極性表面積238
水素結合供与体数0
水素結合受容体数19
回転可能結合数27
重原子数59
形式電荷0
複雑度1,500
物質分類Other Classes -> Other Organic Compounds
化粧品Cosmetic ingredients (Sucrose Acetate Isobutyrate) -> CIR (Cosmetic Ingredient Review)Film formingPlasticiser
食品添加物FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, PROCESSING AID, SURFACE-FINISHING AGENT -> FDA Substance added to food
密度1.146 @ 25 °C/25 °C1.146 g/mL at 25 °C (lit.)
Color/FormCLEAR SEMI-SOLID
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionClear semi-solid or 90% solution in ethanol[Hawley] Light yellow viscous liquid[MSDSonline]
融点−7 °C (lit.)
沸点288 °C (lit.)
蒸気圧40 mm Hg ( 20 °C)
屈折率n 20/D 1.457 (lit.)
引火点Not applicable
貯蔵条件2-8°C
外観・状態Colorless to faint yellow liquid
色Colorless to light yellow
臭いOdorless
化粧品成分の機能フィルム形成可塑剤
InChIKeyZNEBZIJCDDCNRC-BDNKQTQWNA-N
SMILESCC(C)C(=O)OC[C@]1(O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C)O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H]2OC(=O)C(C)C
LogP（分配係数）6.619 (est)
EPAの化学物質情報.alpha.-D-Glucopyranoside, 6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate) (126-13-6)

化学的特性

clear colorless to slightly yellow viscous liquid

安全性と法規制

GHS 分類This chemical does not meet GHS hazard criteria for 99.2% (119 of 120) of all reports.Not ClassifiedAggregated GHS information provided per 120 reports by companies from 3 notifications to the ECHA C&L Inventory.
規制情報Chemical: .alpha.-D-Glucopyranoside, 6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 6-acetate 2,3,4-tris[2-methylpropanoate]Regulation (EC) No 1333/2008 (amended).alpha.-D-Glucopyranoside, 6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 6-acetate 2,3,4-tris(2-methylpropanoate): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
その他の安全情報IMAP assessments - .alpha.-D-Glucopyranoside, 6-O-acetyl-1,3,4-tris-O-(2-methyl-1-oxopropyl)-.beta.-D-fructofuranosyl, 6-acetate 2,3,4-tris[2-methylpropanoate]: Environment tier I assessment
有害性の概要Causes muscle weakness and diarrhea in intraperitoneal, lethal-dose studies of rats[RTECS] No affect on liver enzymes in 20 volunteers who ingested 10 mg/kg/day for 14 days[HSDB] May cause mild eye irritation, based on animal studies[MSDSonline]
Special ReportsWHOEnviron Health Criteria Number 32: Toxicological Evaluation of Certain Food Additives and Contaminants (1993)
Hazard Classes and CategoriesNot Classified
処分方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性の概要Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Human Toxicity ExcerptsTwenty subjects (10 males and 10 females) between 18 and 22 years of age ingested a daily dose of sucrose acetate isobutyrate at a level equivalent to 10 mg/kg bw/day for a period of 14 days. The dose was taken as a bolus each morning. The following blood parameters were measured prior to treatment and at days 7 and 18 of the study: aspartate aminotransferase, alanine aminotransferase, serum alkaline phosphatase, serum bilirubin, total protein, albumin, uric acid, blood area nitrogen, erythrocyte sedimentation rate, sodium, potassium, phosphorous, total CO2, cholesterol and glucose. There were no significant differences in any parameters in any individual ... .

用途

使用

food additive, plasticizer

In another 14-day study, 12 male and 12 female subjects were divided evenly by sex into 3 groups, receiving a carbonated drink only (controls), or a single daily dose of 7.0 or 20.0 mg sucrose acetate isobutyrate/kg bw/day in a carbonated drink. In addition, four men received 20 mg sucrose acetate isobutyrate/kg bw/day for 1 or 3 days only in a pilot experiment to provide early evaluation of possible alterations in normal hepatic function. The subjects were 21 to 42 years of age. Blood was collected prior to testing and on days 7 and 14 for hematological (platelets, total and differential white blood cells count, erythrocyte sedimentation rate, Hct and hemoglobin) and clinical chemistry (total protein, albumin, A/G ratio, calcium, cholesterol, glucose, blood area nitrogen, uric acid total bilirubin, serum alkaline phosphatase, aspartate aminotransferase, alanine aminotransferase, and lactate dehydrogenase) parameters. Standard urinalysis parameters were also recorded at these times. A 45 minute bromosulfophthalein retention test (5 mg/kg bw bromosulfophthalein was also conducte on all subjects prior to treatment and after completion of treatment. Treatment with sucrose acetate isobutyrate did not affect any of these parameters for any individual ... .
Twenty-seven adult subjects, 13 men and 14 women, between the ages of 18 to 55, received sucrose acetate isobutyrate in an aqueous/orange juice emulsion daily for 14 days at a dose of 20 mg/kg bw. In the 7 days prior to treatment, each subject acted as his/her own control by ingesting an orange juice beverage and placebo emulsion. Blood samples were collected from each subject on days -6, 0, 7 and 14 of treatment for measurement of routine hematological and clinical chemistry parameters, including specific indicators of hepatobiliary function (serum alkaline phosphatase, aspartate aminotransferase, alanine aminotransferase, lactate dehydrogenase, gamma-glutamyl transferase, total bilirubin, direct bilirubin, bile acids and serum proteins). No treatment-related changes were detected in any of these parameters over the 14-day dosing period ... .
Non-Human Toxicity Excerpts...95-DAY SUB-ACUTE TOXICITY TESTING OF DOGS & RATS WITH SUCROSE ACETATE ISOBUTYRATE SHOWED IT TO BE WITHOUT EFFECT.Five groups of B6C3F1/Cr1BR mice (10/sex/group) received approx 0, 0.625, 1.25, 2.5 or 5.0 g sucrose acetate isobutyrate/kg bw/day in the diet for 4 wk. Body weights, food consumption and physical exam were recorded at initiation of treatment and weekly during the study. Feeding of sucrose acetate isobutyrate at these doses for 4 wk had no effect on the biological performance of the treated animals. No treatment-related observations were noted at the terminal necropsy ... .A three-week feeding study was conducted in which groups of 30 Sprague-Dawley rats (15/sex/group) were fed 0, 5,000 or 50,000 ppm sucrose acetate isobutyrate in the diet. Five rats/sex/group were sacrificed after 1, 2 and 3 weeks of treatment. Twice weekly determinations of body weight and food consumption indicated no adverse effect of treatment on these parameters. Daily examination of the rats during the first week revealed a high incidence of respiratory disease which was not related to treatmentno animals died. Gross necropsy at sacrifice did not reveal any treatment-related changes. Absolute and relative liver weights were comparable between control and treated groups ... .In a series of studies, Sprague-Dawley rats were divided into 14 treatment groups of 10 animals/sex/group and fed diets containing sucrose acetate isobutyrate at dietary levels of 1.0, 2.0 and 4.0% (w/w) supplemented with 5% corn oil (w/w). The groups were fed the test diets for 28 or 56 days continuously or for 28 days followed or preceded by 28 days on control diet. Two groups were fed the control diet containing corn oil only for 28 or 56 days continuously. At the termination of the study, animals were sacrificed and blood collected for determination of serum alkaline phosphatase (SAP), ornithine carbamyl transferase (OCT), blood urea nitrogen (BUN), triglyceride, cholesterol and glucose. The animals were autopsied, examined grossly, and absolute and relative liver weights were determined. Liver microsomal enzyme activity (p-nitroanisole demethylase), glucose-6-phosphatase and bilirubin-beta-D-glucuronyl transferase were determined and the liver was histologically examined. Weight gain and feed consumption of test and control groups were similar. There were no significant changes in the serum chemistry of the test animals. Gross pathology at autopsy was negative and liver weights (absolute and relative) were similar for test and control groups. Microsomal enzyme activity was similar for test and control animals, with the exception that glucose-6-phosphatase activity was reduced in male rats on the 4% sucrose acetate isobutyrate diet ... .For more Non-Human Toxicity Excerpts (Complete) data for SUCROSE ACETATE ISOBUTYRATE (33 total), please visit the HSDB record page.
Non-Human Toxicity ValuesLD50 Rat oral >5.0 g/kg bw /From table/
水環境危害等級（WGK）3
輸送番号（UN）UN 1173 3/PG 2
毒性mouse,LDLo,intraperitoneal,25600mg/kg (25600mg/kg),GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"BEHAVIORAL: MUSCLE WEAKNESSSKIN AND APPENDAGES (SKIN): HAIR: OTHER,Journal of Agricultural and Food Chemistry. Vol. 21, Pg. 473, 1973.
危険文句（R）20/21/22-36/37/38-68/20/21/22-10-52/53-11
危険表示Xi,Xn,F
安全措置（S）16-26-36-61
危険等級Flam. Liq. 2
貯蔵分類3 - Flammable liquids
有害物質データ126-13-6(Hazardous Substances Data)