蔗糖乙酸异丁酸酯

Description

Sucrose Acetate Isobutyrate · CAS 126-13-6 · C40H62O19. UNII H5KI1C3YTV. Density: 1.146 @ 25 °C/25 °C.

Identification

CAS Registry Number	126-13-6
PubChem CID	31339
Molecular formula	C40H62O19
IUPAC name	[(2R,3R,4S,5S)-5-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,4,5-tris(2-methylpropanoyloxy)oxan-2-yl]oxy-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
UNII (FDA)	H5KI1C3YTV

Computed Descriptors

Molecular Weight	846.9
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	27
Exact Mass	846.38852974
Monoisotopic Mass	846.38852974
Topological Polar Surface Area	238
Heavy Atom Count	59
Formal Charge	0

Physical & Chemical Properties

Density	1.146 @ 25 °C/25 °C

Physical description & handling notes

• Clear semi-solid or 90% solution in ethanol; [Hawley] Light yellow viscous liquid; [MSDSonline]
• CLEAR SEMI-SOLID
• CLEAR SUCROSE DERIVATIVE AVAILABLE EITHER AS SEMI-SOLID (100%), OR AS A 90% SOLN IN ETHYL ALC.
• A NAIL POLISH COMPRISES A MIXT OF SUCROSE BENZOATE, SUCROSE ACETATE ISOBUTYRATE, & IF DESIRED, A PLASTICIZER (ORG PHTHALATE, ADIPATE, OR PHOSPHATE) WHICH REPLACES THE TOLUENESULFONAMIDE-FORMALDEHYDE RESIN GENERALLY USED FOR ADHESION OF THE POLISH TO FINGER- OR TOENAIL.

Regulatory Status

Regulatory & Food Contact

FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, PROCESSING AID, SURFACE-FINISHING FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS ADJUVANT; CLOUDING_AGENT; EMULSIFYING_SALT: Food Additives FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, PROCESSING AID, SURFACE-FINISHING AGENT Use as a stabilizer of emulsions of flavoring oils in alcoholic beverages Scientific procedures

GHS notification summary

99.2% (119 / 120)

GHS Hazard Classification

GHS notification summary	99.2% (119 / 120)

Documented Uses

• CIR ingredient: Sucrose Acetate Isobutyrate
• Used as a modifier for lacquers, in hot-melt coating formulations, as a plasticizer (extrudable plastics), to adjust specific gravities of flavors for carbonated beverages (not approved in the US), and in citrus-flavored beverages as a substitute for brominated vegetable oils (in Canada); [HSDB] Used in cosmetics; [MSDSonline]
• Painting (Pigments, Binders, and Biocides) [Category: Paint]
• USED IN CITRUS-FLAVORED BEVERAGES IN CANADA AS A SUBSTITUTE FOR BROMINATED VEGETABLE OILS AND IS PERMITTED AT LEVELS AS HIGH AS 50 PPM.
• MODIFIER FOR LACQUERS, HOT-MELT COATING FORMULATIONS, EXTRUDABLE PLASTICS
• Used for adjusting specific gravities of flavor oil mixtures for carbonated beverages, but not approved in the United States.

Synonyms

SAIB; Sucrose acetoisobutyrate; Sucrose, diacetate hexaisobutyrate; SAIB 100S; H5KI1C3YTV; Isobutyric acid, hexaester with sucrose diacetate; INS NO.444; INS-444; RefChem:186394; DTXCID709340; DTXSID5029340; 204-771-6; 126-13-6; DTXSID3027035; Saccharose acetate isobutyrate; Sucrose Acetate Isobutyrate

Frequently Asked Questions

What are the CAS number and molecular formula of Sucrose Acetate Isobutyrate?

CAS 126-13-6; molecular formula C40H62O19; molecular weight — g/mol.

What other names is Sucrose Acetate Isobutyrate known by?

SAIB, Sucrose acetoisobutyrate, Sucrose, diacetate hexaisobutyrate, SAIB 100S, H5KI1C3YTV, Isobutyric acid, hexaester with sucrose diacetate.

What is the regulatory status of Sucrose Acetate Isobutyrate?

Documented regulatory listings: FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, PROCESSING AID, SURFACE-FINISHING ; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS; ADJUVANT; CLOUDING_AGENT; EMULSIFYING_SALT: Food Additives.

Is Sucrose Acetate Isobutyrate classified as hazardous?

99.2% of GHS notifications report no hazard classification (119 of 120).

What are the key physical properties of Sucrose Acetate Isobutyrate?

Density: 1.146 @ 25 °C/25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.