diallyl adipate

Modify Date: 2025-08-25 16:05:50

diallyl adipate Structure
diallyl adipate structure
 Common Name diallyl adipate
CAS Number 2998-04-1 Molecular Weight 226.26900
Density 1,02 g/cm3 Boiling Point 125-126°C 3mm
Molecular Formula C12H18O4 Melting Point N/A
MSDS N/A Flash Point 133.8ºC

 Names

Name bis(prop-2-enyl) hexanedioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1,02 g/cm3
Boiling Point 125-126°C 3mm
Molecular Formula C12H18O4
Molecular Weight 226.26900
Flash Point 133.8ºC
Exact Mass 226.12100
PSA 52.60000
LogP 2.00520
Vapour Pressure 0.00234mmHg at 25°C
Index of Refraction 1.454

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV0350000
CHEMICAL NAME :
Adipic acid, diallyl ester
CAS REGISTRY NUMBER :
2998-04-1
BEILSTEIN REFERENCE NO. :
1790571
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C12-H18-O4
MOLECULAR WEIGHT :
226.30
WISWESSER LINE NOTATION :
1U2OV4VO2U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
420 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,3,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,3,1961
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,3,1961

 Safety Information

Risk Phrases R21/22
Safety Phrases S36
RIDADR 2810
RTECS AV0350000
Packaging Group III
Hazard Class 6.1(b)
HS Code 2917120090

 Synthetic Route

Adipic acid structure

Adipic acid

CAS#:124-04-9

Allyl alcohol structure

Allyl alcohol

CAS#:107-18-6

~92%

diallyl adipate Structure

diallyl adipate

CAS#:2998-04-1

Literature: Huang, Jiu-Zhong; Jie, Xiao-Ke; Wei, Kun; Zhang, Hongbin; Wang, Min-Cai; Yang, Yu-Rong Synlett, 2013 , vol. 24, # 10 art. no. ST-2013-W0185-L, p. 1303 - 1306

 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

diallyl adipate
Diallylester kyseliny adipove [Czech]
Adipinsaeure-diallylester
MFCD00039826
Adipic Acid Diallyl Ester
Allyl adipate
EINECS 221-071-6
adipinic acid diallyl ester
Hexanedioic acid,di-2-propenyl ester
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