2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

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Names

[ CAS No. ]:
6846-50-0

[ Name ]:
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

[Synonym ]:
Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
UNII-4KZA479DWQ
2,2,4-Trimethyl-1,3-pentanediyl bis(2-methylpropanoate)
EINECS 229-934-9
2,2,4-trimethyl-1,3-pentandiol diisobutyrate
2,2,4-trimethylpentane-1,3-diol diisobutyrate
2,2,4-TRIMETHYL-1,2-DIHYDRO-QUINOLIN-6-OL
TRIMETHYL PENTANYL DIISOBUTYRATE
2,2,4-trimethyl-1,3-pentanediol-diisobutyrate
1,3-Pentanediol,2,2,4-trimethyl-,diis
2,2,4-trimethyl-1,3-pentanediyl diisobutyrate
2,2,4-TRIMETHYL-1,3-PENTANEDIOLESTER
1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester)
2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISO-BU
MFCD00059267
2,2,4-Trimethylpentane-1,3-diyl bis(2-methylpropanoate)
2,2,4-TRIMETHYL-1,3-PENTANEDIOL-ISOBUTYRATE
2,2,4-Trimethyl-1,3-pentanediol ester
PROSOLVE DE
Txib
TEXANOL ISOBUTYRATE
kodaflextxib
1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
1,3-bis-isobutyryloxy-2,2,4-trimethyl-pentane

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
280.0±0.0 °C at 760 mmHg

[ Melting Point ]:
−70 °C(lit.)

[ Molecular Formula ]:
C16H30O4

[ Molecular Weight ]:
286.407

[ Flash Point ]:
154.6±18.8 °C

[ Exact Mass ]:
286.214417

[ PSA ]:
52.60000

[ LogP ]:
4.04

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.441

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA1420000
CHEMICAL NAME :
1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester)
CAS REGISTRY NUMBER :
6846-50-0
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H30-O4
MOLECULAR WEIGHT :
286.46
WISWESSER LINE NOTATION :
1Y1&VOYY1&1&X1&1&1OVY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 22,387,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9918 No. of Facilities: 5942 (estimated) No. of Industries: 51 No. of Occupations: 38 No. of Employees: 81149 (estimated) No. of Female Employees: 14110 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
SA1420000

[ HS Code ]:
2915900090

Synthetic Route

Precursor & DownStream

Precursor

  • Isobutyraldehyde
  • UNII:WT1X081P0L
  • Isobutyric acid

DownStream

  • 2,2,4-trimethylpent-3-enyl 2-methylpropanoate
  • UNII:WT1X081P0L
  • Propanoic acid,2-methyl-, 2,2,4-trimethylpentyl ester
  • 2,2,4-trimethylpent-3-en-1-ol
  • 1,3-Pentanediol,2,2,4-trimethyl-, 1,3-diformate
  • 1,3-Pentanediol,2,2,4-trimethyl-,diacetate

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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  • UNII:WT1X081P0L
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