(1,3-Dioxolan-4-yl)methanol

Modify Date: 2024-01-03 18:06:59

(1,3-Dioxolan-4-yl)methanol Structure
(1,3-Dioxolan-4-yl)methanol structure
 Common Name (1,3-Dioxolan-4-yl)methanol
CAS Number 5464-28-8 Molecular Weight 104.104
Density 1.2±0.1 g/cm3 Boiling Point 192.5±0.0 °C at 760 mmHg
Molecular Formula C4H8O3 Melting Point 192-193°C
MSDS Chinese Flash Point 76.1±4.2 °C

 Names

Name (1,3-Dioxolan-4-yl)methanol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 192.5±0.0 °C at 760 mmHg
Melting Point 192-193°C
Molecular Formula C4H8O3
Molecular Weight 104.104
Flash Point 76.1±4.2 °C
Exact Mass 104.047340
PSA 38.69000
LogP -0.97
Vapour Pressure 0.1±0.8 mmHg at 25°C
Index of Refraction 1.434

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JH8390000
CHEMICAL NAME :
1,3-Dioxolane-4-methanol
CAS REGISTRY NUMBER :
5464-28-8
BEILSTEIN REFERENCE NO. :
0103187
LAST UPDATED :
199712
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C4-H8-O3
MOLECULAR WEIGHT :
104.12
WISWESSER LINE NOTATION :
T50 COTJ D1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 44,293,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 gm/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - excitement
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 44,293,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7500 mg/kg
TOXIC EFFECTS :
Behavioral - sleep Behavioral - excitement
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 44,293,1986 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
6 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 56,93,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
6 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 56,93,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
6600 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - live birth index (measured after birth)
REFERENCE :
TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 7,73,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
6 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 56,93,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
5 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
REFERENCE :
ACATA5 Acta Anatomica. (S. Karger Pub., Inc., 79 Fifth Ave., New York, NY 10003) V.1- 1945- Volume(issue)/page/year: 106,203,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
3 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 56,93,1980
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
6 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 56,93,1980

 Safety Information

Safety Phrases S23-S24/25
WGK Germany 3
HS Code 2942000000

 Synthetic Route

4-(phenylmethoxymethyl)-1,3-dioxolane structure

4-(phenylmethox...

CAS#:98238-47-2

~75%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

Literature: Predvoditelev; Malenkovskaya; Nifant'ev Russian Journal of General Chemistry, 1998 , vol. 68, # 6 p. 881 - 886
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

Glycerol structure

Glycerol

CAS#:56-81-5

~%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 48, p. 187 Journal of the American Chemical Society, , vol. 50, p. 3122
Glycerol structure

Glycerol

CAS#:56-81-5

~58%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

α,α'-Glycerol formal structure

α,α'-Glycerol formal

CAS#:4740-78-7

Literature: Tetrahedron Letters, , vol. 28, # 52 p. 6601 - 6604
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

Glycerol structure

Glycerol

CAS#:56-81-5

~43%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

α,α'-Glycerol formal structure

α,α'-Glycerol formal

CAS#:4740-78-7

Literature: Tetrahedron Letters, , vol. 28, # 52 p. 6601 - 6604
dimethoxymethane structure

dimethoxymethane

CAS#:109-87-5

Glycerol structure

Glycerol

CAS#:56-81-5

~5%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

α,α'-Glycerol formal structure

α,α'-Glycerol formal

CAS#:4740-78-7

Literature: Tetrahedron Letters, , vol. 28, # 52 p. 6601 - 6604
Hydrochloric acid structure

Hydrochloric acid

CAS#:7647-01-0

Glycerol structure

Glycerol

CAS#:56-81-5

~%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

α,α'-Glycerol formal structure

α,α'-Glycerol formal

CAS#:4740-78-7

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 48, p. 187
Sulfuric acid structure

Sulfuric acid

CAS#:7664-93-9

Glycerol structure

Glycerol

CAS#:56-81-5

~%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

α,α'-Glycerol formal structure

α,α'-Glycerol formal

CAS#:4740-78-7

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 48, p. 187
trioxane structure

trioxane

CAS#:110-88-3

Glycerol structure

Glycerol

CAS#:56-81-5

~%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

α,α'-Glycerol formal structure

α,α'-Glycerol formal

CAS#:4740-78-7

Literature: Journal of Catalysis, , vol. 271, # 2 p. 351 - 357
Hydrochloric acid structure

Hydrochloric acid

CAS#:7647-01-0

Formaldehyde structure

Formaldehyde

CAS#:50-00-0

Glycerol structure

Glycerol

CAS#:56-81-5

~%

(1,3-Dioxolan-4-yl)methanol Structure

(1,3-Dioxolan-4...

CAS#:5464-28-8

Detail
Literature: Chemische Berichte, , vol. 27, p. 1894 Justus Liebigs Annalen der Chemie, , vol. 289, p. 29 Recueil des Travaux Chimiques des Pays-Bas, , vol. 48, p. 187 Journal of the American Chemical Society, , vol. 50, p. 3122 Justus Liebigs Annalen der Chemie, , vol. 335, p. 323 Justus Liebigs Annalen der Chemie, , vol. 357, p. 215,300

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

UNII:Q45U46I791
GLYCEROL FORMAL, α,β
1,3-Dioxolan-4-ylmethanol
Glycerol Formal
MFCD00003218
1,3-Dioxolan-4-methanol
a,b-Methylene Glycerin
α,β-Methylene Glycerin
a,b-Formaldehyde Glycerol
EINECS 225-248-9
1,3-Dioxolane-4-methanol
4-(Hydroxymethyl)-1,3-dioxolane
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