6-Methylheptyl 3-sulfanylpropanoate

Basic Information

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CAS Number

30374-01-7

Molecular Formula

C11H22O2S

Molecular Weight

218.36 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

109-112 ºC (2 mmHg)

Flash Point

-10 ºC

Refractive Index

1.458

SMILES

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CC(C)CCCCCOC(=O)CCS

InChI

InChI=1S/C11H22O2S/c1-10(2)6-4-3-5-8-13-11(12)7-9-14/h10,14H,3-9H2,1-2H3

InChIKey

ZHUWXKIPGGZNJW-UHFFFAOYSA-N

LogP

3.0659000000000023

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

146

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

Tox21_301276
EINECS 250-157-6
MFCD00046846
C11H22O2S
DSSTox_RID_80580
30374-01-7
Propanoic acid, 3-mercapto-, isooctyl ester
LS-14026
CAS-30374-01-7
CS-W014784
Isooctyl 3-mercaptopropionate, >=99%
AKOS015916555
89136-90-3
Propanoic acid, 3-mercapto-, 6-methylheptyl ester
6-Methylheptyl 3-sulfanylpropanoate
NS00007168
isooctyl mercaptopropionate
EC 250-157-6
6-Methylheptyl 3-mercaptopropionate
DTXSID70274150
ISOOCTYL3-MERCAPTOPROPIONATE
3-mercaptopropionic acid isooctyl ester
Isooctyl 3-mercaptopropionate
DSSTox_CID_24911
SCHEMBL56270
NCGC00256140-01
CHEMBL3184500
FT-0755138
E75854
DSSTox_GSID_44911
Propionic acid, 3-mercapto-, 6-methylheptyl ester

MDL Number

MFCD00046846

FAQ

What is 6-Methylheptyl 3-sulfanylpropanoate (CAS: 30374-01-7)?

6-Methylheptyl 3-sulfanylpropanoate (CAS: 30374-01-7) is a colorless liquid with a distinctive odor. It has the chemical formula C11H22O2S and is characterized by its use as a fragrance and flavoring agent.

What are the main uses of 6-Methylheptyl 3-sulfanylpropanoate (CAS: 30374-01-7)?

6-Methylheptyl 3-sulfanylpropanoate is primarily used in the flavor and fragrance industry as a flavoring agent, particularly in the production of food and beverages. It also finds application in the cosmetic and pharmaceutical sectors as a scent adjunct.

Is 6-Methylheptyl 3-sulfanylpropanoate (CAS: 30374-01-7) safe?

6-Methylheptyl 3-sulfanylpropanoate is considered safe for use in food, cosmetics, and pharmaceuticals according to regulatory standards. However, it is important to follow proper handling procedures and wear appropriate personal protective equipment to avoid inhalation or skin contact.

How should 6-Methylheptyl 3-sulfanylpropanoate (CAS: 30374-01-7) be stored?

6-Methylheptyl 3-sulfanylpropanoate should be stored in a cool, dry place to prevent degradation. It should be kept away from direct sunlight and heat sources. The containers should be sealed tightly to maintain purity and stability. Store it in well-ventilated areas to avoid the risk of fire and ensure safety.