硬脂酸异丁酯

Description

isobutyl stearate · CAS 646-13-9 · C22H44O2. UNII V8DPR6HNX3. Boiling Point: 223 °C @ 15 mm Hg; Melting Point: 28.9 °C; Density: 0.8498 @ 20 °C.

Identification

CAS Registry Number	646-13-9
PubChem CID	12588
Molecular formula	C22H44O2
IUPAC name	2-methylpropyl octadecanoate
UNII (FDA)	V8DPR6HNX3

Computed Descriptors

Molecular Weight	340.6
XLogP3	9.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	19
Exact Mass	340.334130642
Monoisotopic Mass	340.334130642
Topological Polar Surface Area	26.3
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

Boiling Point	223 °C @ 15 mm Hg
Melting Point	28.9 °C
Density	0.8498 @ 20 °C
Vapor Pressure	0.0000279 [mmHg]

Physical description & handling notes

• Liquid
• Waxy solid; mp = 20 deg C; [Hawley] mp = 28.9 deg C; [HSDB] Off-white liquid; [MSDSonline]
• WAX
• Paraffin-like, crystal substance @ low temp
• Waxy, crystalline solid
• Very sol in ether

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS Flavoring Agents CIR / INCI: Cosmetic ingredients (Isobutyl Stearate) -> CIR (Cosmetic Ingredient Review) CIR / INCI: Emollient; Skin conditioning
GHS notification summary	92% (23 / 25)

GHS Hazard Classification

GHS notification summary	92% (23 / 25)

Documented Uses

• CIR ingredient: Isobutyl Stearate
• Used in waterproof coatings, polishes, face creams, rouges, ointments, soaps, inks, and lubricants; Also used in rubber manufacturing and in dye solutions; [HSDB]
• In waterproof coatings, polishes, face creams, rouges, ointments, soaps, rubber mfr, dye soln, inks, lubricants
• Cosmetics, inks, coatings, polishes
• Cosmetics -> Emollient; Skin conditioning
• Fabricated Metal Product Manufacturing

Synonyms

ISOBUTYL STEARATE; 2-Methylpropyl octadecanoate; Octadecanoic acid, 2-methylpropyl ester; Stearic acid, isobutyl ester; isobutyl octadecanoate; HSDB 2177; UNII-V8DPR6HNX3; V8DPR6HNX3; Stearic acid isobutyl ester; Uniflex IBYS; Kessco IBS; EINECS 211-466-1; BRN 1792857; Kemester 5415; Emerest 2324; Stearic acid, 2-methylpropyl ester

Frequently Asked Questions

What are the CAS number and molecular formula of isobutyl stearate?

CAS 646-13-9; molecular formula C22H44O2; molecular weight — g/mol.

What other names is isobutyl stearate known by?

ISOBUTYL STEARATE, 2-Methylpropyl octadecanoate, Octadecanoic acid, 2-methylpropyl ester, Stearic acid, isobutyl ester, isobutyl octadecanoate, HSDB 2177.

What is the regulatory status of isobutyl stearate?

Documented regulatory listings: EU Flavoring substances; FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is isobutyl stearate classified as hazardous?

92% of GHS notifications report no hazard classification (23 of 25).

What are the key physical properties of isobutyl stearate?

Boiling Point: 223 °C @ 15 mm Hg; Melting Point: 28.9 °C; Density: 0.8498 @ 20 °C; Vapor Pressure: 0.0000279 [mmHg].

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.