Hexanedioic acid,1,6-bis(3-methylbutyl) ester

Modify Date: 2024-01-12 15:14:43

Hexanedioic acid,1,6-bis(3-methylbutyl) ester Structure
Hexanedioic acid,1,6-bis(3-methylbutyl) ester structure
Common Name Hexanedioic acid,1,6-bis(3-methylbutyl) ester
CAS Number 6624-70-0 Molecular Weight 286.40700
Density 0.953g/cm3 Boiling Point 308.2ºC at 760 mmHg
Molecular Formula C16H30O4 Melting Point N/A
MSDS N/A Flash Point 134.9ºC

 Names

Name bis(3-methylbutyl) hexanedioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.953g/cm3
Boiling Point 308.2ºC at 760 mmHg
Molecular Formula C16H30O4
Molecular Weight 286.40700
Flash Point 134.9ºC
Exact Mass 286.21400
PSA 52.60000
LogP 3.72540
Index of Refraction 1.443

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV1500000
CHEMICAL NAME :
Adipic acid, diisopentyl ester
CAS REGISTRY NUMBER :
6624-70-0
BEILSTEIN REFERENCE NO. :
1794641
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H30-O4
MOLECULAR WEIGHT :
286.46
WISWESSER LINE NOTATION :
3Y1&OV4VOY3&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MRLR** U.S. Army, Chemical Corps Medical Laboratories Research Reports. (Army Chemical Center, Edgewood Arsenal, MD) Volume(issue)/page/year: #256,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
640 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MRLR** U.S. Army, Chemical Corps Medical Laboratories Research Reports. (Army Chemical Center, Edgewood Arsenal, MD) Volume(issue)/page/year: #256,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
25 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GWXXBX German Offenlegungsschrift Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2703360

 Safety Information

HS Code 2917120090

 Synthetic Route

~%

Hexanedioic acid,1,6-bis(3-methylbutyl) ester Structure

Hexanedioic aci...

CAS#:6624-70-0

Literature: Rigg; Gisser Journal of the American Chemical Society, 1953 , vol. 75, p. 1415,1417

~81%

Hexanedioic acid,1,6-bis(3-methylbutyl) ester Structure

Hexanedioic aci...

CAS#:6624-70-0

Literature: Parmar, Anupama; Kaur, Jatinder; Goyal, Rita; Kumar, Baldev; Kumar, Harish Synthetic Communications, 1998 , vol. 28, # 15 p. 2821 - 2826

~%

Hexanedioic acid,1,6-bis(3-methylbutyl) ester Structure

Hexanedioic aci...

CAS#:6624-70-0

Literature: James; Bryan Journal of Organic Chemistry, 1958 , vol. 23, p. 1225

 Customs

HS Code 2917120090
Summary 2917120090. adipic acid and its salts. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

 Synonyms

Diisoamyl adipate
Di(3-methylbutyl)adipate
Adipic acid bis(3-methylbutyl) ester
Di-isoamyl-adipat
Hexanedioic acid,bis(3-methylbutyl) ester
ADIPIC ACID,DIISOPENTYL ESTER
Adipinsaeure-diisopentylester
Bis(3-methylbutyl) adipate
Adipinsaeure-diisoamylester