CAS 111-29-5|1,5-Pentanediol

Introduction:Basic information about CAS 111-29-5|1,5-Pentanediol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1,5-Pentanediol
CAS Number111-29-5Molecular Weight104.148
Density1.0±0.1 g/cm3Boiling Point239.0±0.0 °C at 760 mmHg
Molecular FormulaC5H12O2Melting Point-18 °C
MSDSChineseUSAFlash Point129.4±0.0 °C

Names

Name1,5-Pentanediol
SynonymMore Synonyms

Chemical & Physical Properties

Density1.0±0.1 g/cm3
Boiling Point239.0±0.0 °C at 760 mmHg
Melting Point-18 °C
Molecular FormulaC5H12O2
Molecular Weight104.148
Flash Point129.4±0.0 °C
Exact Mass104.083733
PSA40.46000
LogP-0.60
Vapour Pressure0.0±1.0 mmHg at 25°C
Index of Refraction1.446
InChIKeyALQSHHUCVQOPAS-UHFFFAOYSA-N
SMILESOCCCCCO
Water SolubilityMiscible

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA0480000
CHEMICAL NAME :
1,5-Pentanediol
CAS REGISTRY NUMBER :
111-29-5
BEILSTEIN REFERENCE NO. :
1560130
LAST UPDATED :
199712
DATA ITEMS CITED :
10
MOLECULAR FORMULA :
C5-H12-O2
MOLECULAR WEIGHT :
104.17
WISWESSER LINE NOTATION :
Q5Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 5/22/1959 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 23,418,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 38(9),14,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 49,385,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 38(9),14,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>20 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 5/22/1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
4600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 38(9),14,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1682 No. of Facilities: 1535 (estimated) No. of Industries: 5 No. of Occupations: 24 No. of Employees: 61332 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1682 No. of Facilities: 567 (estimated) No. of Industries: 4 No. of Occupations: 4 No. of Employees: 1500 (estimated) No. of Female Employees: 516 (estimated)

Safety Information

Personal Protective EquipmentEyeshields;Gloves
Hazard CodesXn:Harmful;
Safety PhrasesS24/25
RIDADRNONH for all modes of transport
WGK Germany1
RTECSSA0480000
HS Code29053980

Customs

HS Code2905399090
Summary2905399090 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%

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Synonyms

1,5-Dihydroxypentane
1,5-Pentanediol
EINECS 203-854-4
MFCD00002978
Pentane-1,5-diol
Pentamethylene Glycol
1,5 Pentanediol
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