12-Crown-4

Modify Date: 2025-08-20 17:15:07

12-Crown-4 structure	Common Name	12-Crown-4
	CAS Number	294-93-9	Molecular Weight	176.210
	Density	1.0±0.1 g/cm3	Boiling Point	254.9±0.0 °C at 760 mmHg
	Molecular Formula	C₈H₁₆O₄	Melting Point	16 °C(lit.)
	MSDS	N/A	Flash Point	120.1±30.0 °C

Name	12-crown-4
Synonym	More Synonyms

Density	1.0±0.1 g/cm3
Boiling Point	254.9±0.0 °C at 760 mmHg
Melting Point	16 °C(lit.)
Molecular Formula	C₈H₁₆O₄
Molecular Weight	176.210
Flash Point	120.1±30.0 °C
Exact Mass	176.104858
PSA	36.92000
LogP	-0.54
Vapour Pressure	0.0±0.5 mmHg at 25°C
Index of Refraction	1.404
InChIKey	XQQZRZQVBFHBHL-UHFFFAOYSA-N
SMILES	C1COCCOCCOCCO1
Storage condition	2-8°C
Water Solubility	MISCIBLE

12-Crown-4 MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XF0550000

CHEMICAL NAME :: 1,4,7,10-Tetraoxacyclododecane

CAS REGISTRY NUMBER :: 294-93-9

BEILSTEIN REFERENCE NO. :: 1363064

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C8-H16-O4

MOLECULAR WEIGHT :: 176.24

WISWESSER LINE NOTATION :: T-12-O DO GO JOTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2830 mg/kg

TOXIC EFFECTS :: Behavioral - tremor

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,339,1978

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1550 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3150 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 44,263,1978

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1290 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 4530 uL/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536186 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 1 ppm/7H

SEX/DURATION :: male 15 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 27,342,1974

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 500 ppb/7H

SEX/DURATION :: male 15 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 27,342,1974

Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22;R36/37/38
Safety Phrases	S28-S36/37-S45-S36-S26
RIDADR	UN 2810
WGK Germany	3
RTECS	XF0550000
Packaging Group	III
Hazard Class	6.1
HS Code	29329995

2,2'-((Oxybis(e...

CAS#:112-60-7

~30%

12-Crown-4

CAS#:294-93-9

Literature: Tsunoda; Ozaki; Shirakata; Tamaoka; Yamamoto; Ito Tetrahedron Letters, 1996 , vol. 37, # 14 p. 2463 - 2466

2,2'-((Oxybis(e...

CAS#:112-60-7

~1%

12-Crown-4

CAS#:294-93-9

1,4,7,10,13,16,...

CAS#:33089-37-1

1,4,7,10,13,16,...

CAS#:71092-59-6

Detail

Literature: Tetrahedron, , vol. 45, # 7 p. 2201 - 2212

2,2'-((Oxybis(e...

CAS#:112-60-7

~2%

12-Crown-4

CAS#:294-93-9

1,4,7,10,13,16,...

CAS#:33089-37-1

Literature: Bulletin of the Chemical Society of Japan, , vol. 53, # 6 p. 1689 - 1693

2,2'-((Oxybis(e...

CAS#:112-60-7

Diethylene glycol

CAS#:111-46-6

~0%

12-Crown-4

CAS#:294-93-9

18-Crown-6

CAS#:17455-13-9

Detail

Literature: Bulletin of the Chemical Society of Japan, , vol. 53, # 6 p. 1689 - 1693

Ethylene glycol

CAS#:107-21-1

1,2-bis(2-chlor...

CAS#:112-26-5

~37%

12-Crown-4

CAS#:294-93-9

Literature: Ziafati, Ahmad; Sabzevari, Omolbanin; Heravi, Majid M. Phosphorus, Sulfur and Silicon and the Related Elements, 2006 , vol. 181, # 4 p. 803 - 807

Bis(chloroethyl...

CAS#:111-44-4

Diethylene glycol

CAS#:111-46-6

~24%

12-Crown-4

CAS#:294-93-9

Literature: Bowsher, Brian R.; Rest, Antony J. Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1981 , p. 1157 - 1161

Precursor 5
CAS#:112-60-7 2,2'-((Oxybis(e... CAS#:111-46-6 Diethylene glycol CAS#:107-21-1 Ethylene glycol CAS#:112-26-5 1,2-bis(2-chlor...
CAS#:111-44-4 Bis(chloroethyl...
DownStream 7
CAS#:123-91-1 1,4-Dioxane CAS#:114094-11-0 Bis(12-crown-4) CAS#:16872-10-9 1,2-Dicarbadode... CAS#:16390-61-7 1,2-Dicarbadode...
CAS#:40891-99-4 1,1,2,2-tetrafl... CAS#:64028-03-1 1,1,1,2,2-penta... CAS#:5587-62-2 diisocyanatodim...

HS Code	29329995

Name: Stabilization of TTR V30M mutant (unknown origin) expressed in Escherichia coli asses...
Source: ChEMBL
Target: Transthyretin
External Id: CHEMBL4414000

Name: Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichi...
Source: ChEMBL
Target: Transthyretin
External Id: CHEMBL4414004

Name: Inhibition of ANS binding to TTR V30M mutant (unknown origin) expressed in Escherichi...
Source: ChEMBL
Target: Transthyretin
External Id: CHEMBL4414006

Name: Inhibition of TTR V30M mutant (unknown origin)-mediated amyloid fibril formation expr...
Source: ChEMBL
Target: Transthyretin
External Id: CHEMBL4413992

Name: Inhibition of TTR V30M mutant (unknown origin)-mediated amyloid fibril formation expr...
Source: ChEMBL
Target: Transthyretin
External Id: CHEMBL4413993

Total 5, Current Page 1 of 1

12-crown-4 ether

ethylene oxide cyclic tetramer

1,4,7,10-Tetraoxacyclododecane

12-Crown 4-Ether

12-Crown-4

12-Crown-4-ether

1,4,7,10-tetraoxa-cyclododecane

EINECS 206-036-5

UNII-K6069P2C2A

EOCT

MFCD00005103

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12-Crown-4

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

12-Crown-4Bioassay

Synonyms

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