dioctadecyl 3,3'-thiodipropanoate

Modify Date: 2025-09-13 15:44:46

dioctadecyl 3,3'-thiodipropanoate Structure
dioctadecyl 3,3'-thiodipropanoate structure
 Common Name dioctadecyl 3,3'-thiodipropanoate
CAS Number 693-36-7 Molecular Weight 683.163
Density 0.9±0.1 g/cm3 Boiling Point 704.8±45.0 °C at 760 mmHg
Molecular Formula C42H82O4S Melting Point 65-67°C
MSDS N/A Flash Point 323.7±16.7 °C

 Names

Name Dioctadecyl 3,3'-Thiodipropionate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.9±0.1 g/cm3
Boiling Point 704.8±45.0 °C at 760 mmHg
Melting Point 65-67°C
Molecular Formula C42H82O4S
Molecular Weight 683.163
Flash Point 323.7±16.7 °C
Exact Mass 682.593384
PSA 77.90000
LogP 19.26
Vapour Pressure 0.0±2.2 mmHg at 25°C
Index of Refraction 1.473
InChIKey PWWSSIYVTQUJQQ-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UF8010000
CHEMICAL NAME :
Propionic acid, 3,3'-thiodi-, dioctadecyl ester
CAS REGISTRY NUMBER :
693-36-7
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C42-H82-O4-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AFREAW Advances in Food Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1-32, 1948-88. Volume(issue)/page/year: 3,197,1951 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7422 No. of Facilities: 515 (estimated) No. of Industries: 11 No. of Occupations: 20 No. of Employees: 20401 (estimated) No. of Female Employees: 11757 (estimated)

 Safety Information

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S26-S36/37/39
RIDADR NONH for all modes of transport
RTECS UF8010000
HS Code 2930909090

 Synthetic Route

THIODIPROPIONIC ACID structure

THIODIPROPIONIC ACID

CAS#:111-17-1

Octadecanol structure

Octadecanol

CAS#:112-92-5

~78%

dioctadecyl 3,3'-thiodipropanoate Structure

dioctadecyl 3,3...

CAS#:693-36-7

Literature: Kumar, Anil; Tilak, B. D. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1986 , vol. 25, p. 880 - 882

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 dioctadecyl 3,3'-thiodipropanoateBioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Total 2, Current Page 1 of 1
1

 Synonyms

EINECS 211-750-5
Dioctadecyl 3,3'-sulfanediyldipropanoate
dioctadecyl 3,3'-thiodipropanoate
MFCD00026684
Propanoic acid, 3,3'-thiobis-, dioctadecyl ester
Distearyl thiodipropionate
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