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2,3,3-Trimethylpentane

2,3,3-Trimethylpentane structure

CAS No:
560-21-4
Formula:
C8H18
Chemical Name:
2,3,3-Trimethylpentane
Synonyms:
Pentane,2,3,3-trimethyl-;2,3,3-Trimethylpentane;NSC 77447
Categories:
Analytical Chemistry > Standard

Description

2,3,3-trimethylpentane is a branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3. It has a role as a human metabolite, a bacterial metabolite and a mammalian metabolite. It is an alkane and a volatile organic compound.

2,3,3-Trimethylpentane Basic Attributes

Molecular Weight：

114.23

Exact Mass：

114.23

EC Number：

209-207-2

UNII：

J62AAG7FN0

NSC Number：

77447

DSSTox ID：

DTXSID2060333

Characteristics

PSA：

XLogP3：

4.46

Density：

0.7258 g/cm³ @ Temp: 20 °C

Melting Point：

-100.9 °C

Boiling Point：

114.8 °C

Flash Point：

-6℃

Refractive Index：

1.400

Storage Conditions：

room temp

Vapor Pressure：

27.00 mmHg

Safety Information

Transport codes：

UN12623/PG2

hazard class code：

11-38-50/53-65-67

safety instructions：

9-16-29-33-60-61-62

RTECS Number：

SA3321000

Marks：

F,Xn,N

Precautionary statement(s)：

P210-P261-P273-P301 + P310-P331-P501

Hazard Statements：

H225-H304-H315-H336-H410

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 54 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Drug Information

Biological Half-Life：

53.00 Days

2,3,3-Trimethylpentane Use and Manufacturing

Manufacturing Info：

Pentane, 2,3,3-trimethyl-: ACTIVE

Computed Properties

Molecular Weight:114.23
XLogP3:3.8
Rotatable Bond Count:2
Exact Mass:114.140850574
Monoisotopic Mass:114.140850574
Heavy Atom Count:8
Complexity:60.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes