2-Pentylpropane-1,3-diol

Modify Date: 2024-01-08 18:59:19

2-Pentylpropane-1,3-diol Structure
2-Pentylpropane-1,3-diol structure
 Common Name 2-Pentylpropane-1,3-diol
CAS Number 25462-23-1 Molecular Weight 146.22700
Density 0.937g/cm3 Boiling Point 255.8ºC at 760mmHg
Molecular Formula C8H18O2 Melting Point N/A
MSDS N/A Flash Point 117.3ºC

 Names

Name 2-n-pentylpropane-1,3-diol
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.937g/cm3
Boiling Point 255.8ºC at 760mmHg
Molecular Formula C8H18O2
Molecular Weight 146.22700
Flash Point 117.3ºC
Exact Mass 146.13100
PSA 40.46000
LogP 1.16750
Vapour Pressure 0.00242mmHg at 25°C
Index of Refraction 1.452

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TZ0980000
CHEMICAL NAME :
1,3-Propanediol, 2-pentyl-
CAS REGISTRY NUMBER :
25462-23-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H18-O2
MOLECULAR WEIGHT :
146.26
WISWESSER LINE NOTATION :
Q1Y5&1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
360 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,462,1969

 Safety Information

Risk Phrases R20/21
Safety Phrases 23-36/37/39
HS Code 2905399090

 Synthetic Route

Propanedioic acid,2-pentyl-, 1,3-diethyl ester structure

Propanedioic ac...

CAS#:6065-59-4

~90%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

Literature: Shevchenko; Volynskii Petroleum Chemistry, 2008 , vol. 48, # 2 p. 123 - 128
Formaldehyde structure

Formaldehyde

CAS#:50-00-0

Heptanal structure

Heptanal

CAS#:111-71-7

~55%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

Literature: Casas, Jesus; Sunden, Henrik; Cordova, Armando Tetrahedron Letters, 2004 , vol. 45, # 32 p. 6117 - 6119
Diethyl malonate structure

Diethyl malonate

CAS#:105-53-3

~%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

Literature: US5683623 A1, ;
(E)-1-Acetoxy-2-(acetoxymethyl)-3-cyclohexylidenepropane structure

(E)-1-Acetoxy-2...

CAS#:133490-88-7

~%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

Literature: Journal of Organic Chemistry, , vol. 57, # 5 p. 1540 - 1554
1-Bromopentane structure

1-Bromopentane

CAS#:110-53-2

~%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

Literature: Bulletin of the Chemical Society of Japan, , vol. 57, # 7 p. 1966 - 1969
2-(cyclohexylmethyl)propane-1,3-diyl diacetate structure

2-(cyclohexylme...

CAS#:110230-66-5

~%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

N/A structure

N/A

CAS#:138513-51-6

Literature: Journal of Organic Chemistry, , vol. 57, # 5 p. 1540 - 1554
1,5-Dibromopentane structure

1,5-Dibromopentane

CAS#:111-24-0

~%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

Literature: Bulletin de la Societe Chimique de France, , # 1 p. 113 - 117
DIETHYL (5-BROMOPENTYL)MALONATE structure

DIETHYL (5-BROM...

CAS#:1906-95-2

~%

2-Pentylpropane-1,3-diol Structure

2-Pentylpropane...

CAS#:25462-23-1

(bromo-5 pentyl)-2 propanediol-1,3 structure

(bromo-5 pentyl...

CAS#:115694-04-7

Literature: Bulletin de la Societe Chimique de France, , # 1 p. 113 - 117

 Customs

HS Code 2905399090
Summary 2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

 Synonyms

2-n-Pentylpropane-1,3-diol
2-Pentylpropane-1,3-diol
1,1-BIS(HYDROXYMETHYL)HEXANE
2-n-Pentyl-propan-1,3-diol
2-N-AMYLPROPANE-1,3-DIOL
2-pentyl-1,3-propanediol
2-pentyl-3-propanediol
pentyl-2 propanediol-1,3
2-n-pentyl-1,3-propanediol
MFCD00801123
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