tert-Butyl Formate

HCID 61207
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Basic information

CAS
762-75-4
Standard SMILES
CC(C)(C)OC=O
InChIKey
RUPAXCPQAAOIPB-UHFFFAOYSA-N
Molecular formula
C5H10O2
Average molar mass
102.13 g/mol
Monoisotopic mass
102.06807956

Names & identifiers

Preferred name
tert-Butyl Formate
IUPAC
tert-butyl formate
English name
tert-Butyl formate
Molecular formula
C5H10O2
Molecular weight
102.13

Names & synonyms

TERT-BUTYL FORMATE762-75-4Formic acid, 1,1-dimethylethyl estert-Butyl formateDTXSID4024690J5BC8DA85JDTXCID304690RefChem:894660212-105-0Formic acid, tert-butyl esterTERT-BUTYLOXYCARBONYL GROUPFormic acid-tert-butyl ester
Show more names
ert-Butylformatetert-butylformiatetert-butyl methanoatetert-Butyl forMate 99%1,1-dimethylethylformate
MFCD00003290Formic acid tert-butyl esterFormate, t-butyl-EINECS 212-105-0tet.-Butyl formateH-BocH-t-Boctertiary butyl formate

Database identifiers

CAS
762-75-4
PubChem CID
61207
DTXSID
DTXSID4024690
ChEMBL
CHEMBL1236200
UNII
J5BC8DA85J
EC Number
212-105-0
Nikkaji
J144.979F

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

Kovats Retention Index585；589

Physicochemical properties

Melting point
-93.85 °C · -93.85°C (estimate)
Boiling point
82 · 82-83 °C (lit.)
Density
0.872 g/mL · 0.872 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.379(lit.)
Flash point
15 °F · 15 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]；H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

Hazard information

Hazard Classes and Categories · 3 items

Flam. Liq. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Flammable liquid - category 2；Eye irritation - category 2；Specific target organ toxicity (single exposure) - category 3

Flam. Liq. 2；STOT SE 3；Eye Irrit. 2

Toxicology

RAIS Toxicity Values · 2 items

0.008

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 4 items

tert-Butyl Formate

PDF Document

Inadequate information to assess carcinogenic potential

2017

Safety data

F
21-10
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
ridadr
UN 3272 3/PG 2
risk_code
11-36/37-43
Signal word
Danger

Chemistry & industry

Applications

Usestert-Butyl Formate have potential for use as an insecticide in both grain fumigation and in public health pest management. It exhibits neurotoxicological effect.

General Descriptiontert-Butyl formate was one of the byproducts of methyl tert-butyl ether (MTBE) degradation.

Upstream & downstream products

Suppliers33 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]

Related reactions

48 records
New reaction record

Compound notes

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