1,4-Butanediol,2-methyl-

Modify Date: 2025-08-22 06:52:33

1,4-Butanediol,2-methyl- Structure
1,4-Butanediol,2-methyl- structure
Common Name 1,4-Butanediol,2-methyl-
CAS Number 2938-98-9 Molecular Weight 104.14800
Density 0.978g/cm3 Boiling Point 212.2ºC at 760 mmHg
Molecular Formula C5H12O2 Melting Point 50.86 °C
MSDS N/A Flash Point 98.9ºC

 Names

Name 1,4-Butanediol,2-methyl
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.978g/cm3
Boiling Point 212.2ºC at 760 mmHg
Melting Point 50.86 °C
Molecular Formula C5H12O2
Molecular Weight 104.14800
Flash Point 98.9ºC
Exact Mass 104.08400
PSA 40.46000
Vapour Pressure 0.0392mmHg at 25°C
Index of Refraction 1.443
InChIKey MWCBGWLCXSUTHK-UHFFFAOYSA-N
SMILES CC(CO)CCO
Storage condition 2-8℃

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EK2275000
CHEMICAL NAME :
1,4-Butanediol, 2-methyl-
CAS REGISTRY NUMBER :
2938-98-9
BEILSTEIN REFERENCE NO. :
1719165
LAST UPDATED :
199806
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H12-O2
MOLECULAR WEIGHT :
104.17
WISWESSER LINE NOTATION :
Q2Y1&1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2620 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 4,119,1951

 Safety Information

Hazard Codes Xn
HS Code 2905399090

 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

3-methyl-1,4-butanediol
2-methyl-butane-1,4-diol
2-methyl-1,4-dihydroxybutane
2-methyl-4-butanediol
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