1,3-bis(propan-2-yl) propanedioate

Basic Information

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CAS Number

13195-64-7

Molecular Formula

C9H16O4

Molecular Weight

188.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-51°C

Boiling Point

93-95 °C/12 mmHg

Refractive Index

n20/D 1.412(lit.)

SMILES

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CC(C)OC(=O)CC(=O)OC(C)C

InChI

InChI=1S/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3

InChIKey

QRVSDVDFJFKYKA-UHFFFAOYSA-N

LogP

1.2796999999999998

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

164

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Propanedioic acid, bis(1-methylethyl) ester
Diisopropyl malonate #
Propanedioicacid,bis(1-methylethyl)ester
Diisopropyl malonate, ReagentPlus(R), 99%
D72519
AKOS000121055
2-Propenoic acid, 3-hydroxy-3-(1-methylethoxy)-, 1-methylethyl ester
InChI=1/C9H16O4/c1-6(2)12-8(10)5-9(11)13-7(3)4/h6-7H,5H2,1-4H3
EINECS 236-156-3
di-isopropyl malonate
EN300-21763
BCP25867
DS-7791
QRVSDVDFJFKYKA-UHFFFAOYSA-
1-Methylethyl 3-hydroxy-3-(1-methylethoxy)-2-propenoate
13195-64-7
6HB78DQ4ZJ
Diisopropyl malonate, Vetec(TM) reagent grade, 99%
MFCD00059359
NSC 406716
Propanedioic acid, 1,3-bis(1-methylethyl) ester
DTXSID10157276
dipropan-2-yl propanedioate
W-108321
diisopropylmalonate
NSC406716
Diisopropyl malonate
M0648
SCHEMBL229792
CCRIS 8983
AI3-07236

MDL Number

MFCD00059359

Customs Code

2917190090

FAQ

What is 1,3-bis(propan-2-yl) propanedioate (CAS: 13195-64-7)?

1,3-bis(propan-2-yl) propanedioate is a chemical compound with the formula C8H16O2. It is a colorless liquid with a distinctive odor and is used primarily in the pharmaceutical and fragrance industries.

What are the main uses of 1,3-bis(propan-2-yl) propanedioate (CAS: 13195-64-7)?

This compound is mainly used in the pharmaceutical industry as a fragrance ingredient and for flavoring. It is also utilized in the formulation of certain personal care products and as a chemical intermediate in organic synthesis.

Is 1,3-bis(propan-2-yl) propanedioate (CAS: 13195-64-7) safe?

1,3-bis(propan-2-yl) propanedioate is considered safe for general use in the concentrations found in consumer products. It is generally recognized as safe (GRAS) by the FDA. However, it is advisable to handle it with gloves and in a well-ventilated area to avoid inhalation or skin contact.

How should 1,3-bis(propan-2-yl) propanedioate (CAS: 13195-64-7) be stored?

Store 1,3-bis(propan-2-yl) propanedioate in a cool, dry place away from direct sunlight and heat sources. Maintain the container in an airtight condition to prevent moisture absorption. The recommended temperature range is between 15°C and 25°C (59°F and 77°F). Avoid contact with incompatible materials such as strong acids or oxidizers.