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Plasticizers

Orb1680304

CAS 1346652-41-2Formula C42H66O15Molar mass 810.98 g/mol
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Orb1680304 chemical structure, C42H66O15, CAS 1346652-41-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1346652-41-2
Formula
C42H66O15
Molar mass
810.98 g/mol
HS code
293890
Category
Plasticizers

What is Orb1680304?

Plain description, key identifiers and synonyms

Orb1680304 is a chemical substance with the molecular formula C42H66O15 and a molar mass of 810.98 g/mol. Its CAS registry number is 1346652-41-2. The IUPAC name is 2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-O-methyl 4a-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylate
CAS number
1346652-41-2
Molecular formula
C42H66O15
InChIKey
FAIBCUGVQRXPOI-CMHRVVLOSA-N
InChI
InChI=1S/C42H66O15/c1-37(35(51)53-6)13-15-42(36(52)57-34-32(50)30(48)29(47)24(18-43)55-34)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(56-33-31(49)28(46)23(45)19-54-33)39(3,20-44)25(38)9-12-41(26,40)5/h7,22-34,43-50H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31+,32+,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1
Canonical SMILES
COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Isomeric SMILES
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)C)[C@@H]2C1)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)OC

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
810.98 g/molcalc.
Exact mass
810.4402 Dacalc.
LogP (octanol/water)
1.08calc.
Topological polar surface area
242.1 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
15calc.
Rotatable bonds
7calc.
Heavy atoms
57calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.91calc.
Formal charge
0calc.
Stereocentres
19calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(OC1CCCCO1)C12CCCCC1C1=CCC3C4CCC(OC5CCCCO5)CC4CCC3C1CC2

O=C(OC1CCCCO1)C12CCCCC1C1=CCC3C4CCC(OC5CCCCO5)CC4CCC3C1CC2

7 rings, 38 atoms.

60 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Orb1680304 suppliers

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Orb1680304 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Orb1680304 is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1680304 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1680304, based on the data on this page

What is Orb1680304?

Orb1680304 is a chemical substance with the molecular formula C42H66O15 and a molar mass of 810.98 g/mol. Its CAS registry number is 1346652-41-2.

What is the CAS number of Orb1680304?

The CAS registry number of Orb1680304 is 1346652-41-2.

What is the molecular formula and weight of Orb1680304?

The molecular formula of Orb1680304 is C42H66O15 and its molar mass is 810.98 g/mol.

What is Orb1680304 used for?

Known uses and roles of Orb1680304 include plasticizers in paints and coatings, plasticizers in plastics and polymers and plasticizers in adhesives and sealants.

Is Orb1680304 hazardous?

No GHS hazard classification for Orb1680304 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb1680304?

Orb1680304 is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1680304?

Post a free request on CompoundList and suppliers of Orb1680304 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1680304?

Suppliers quote Orb1680304 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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