HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 61207Erstellt: 27. Oktober 2026

tert-Butylformiat

Formic acid, 1,1-dimethylethyl ester · t-Butyl Formate · ert-Butylformate · tert-butylformiate · tert-Butyl formate · tert-butyl methanoate · tert-Butyl forMate 99% · 1,1-dimethylethylformate

https://huagongshe.com/de/chemical/61207

Identifikatoren & physikalische Daten

CAS No.	762-75-4
Summenformel	C5H10O2
Durchschnittliche Molmasse	102,13 g/mol
Monoisotopische Masse	102,06807956 g/mol
SMILES	CC(C)(C)OC=O
InChIKey	RUPAXCPQAAOIPB-UHFFFAOYSA-N
PubChem CID	61207
ChEMBL	CHEMBL1236200
EC No.	212-105-0
DTXSID	DTXSID4024690
Lokaler Name	tert-Butylformiat

Chemische & physikalische Eigenschaften

XLogP	1,1
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	7
Formalladung	0
Komplexität	61
Kovats Retention Index	585589
Schmelzpunkt	-93.85°C (estimate)
Siedepunkt	82-83 °C (lit.)
Dichte	0.872 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.379(lit.)
Flammpunkt	15 °F
Lagerbedingungen	2-8°C
Löslichkeit	Acetonitrile (Slightly), Chloroform (Slightly)
Aggregatzustand	Colourless Oil
BRN	1738871
Henry-Konstante	1.4×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
InChI	InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
InChIKey	RUPAXCPQAAOIPB-UHFFFAOYSA-N
SMILES	C(OC(C)(C)C)=O
EPA chemische Informationen	tert-Butyl formate (762-75-4)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH225: 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 exposureRespiratory 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)
Hazard Classes and Categories	Flam. Liq. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)Flammable liquid - category 2Eye irritation - category 2Specific target organ toxicity (single exposure) - category 3
RAIS Toxicity Values	0.008PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values	tert-Butyl FormatePDF DocumentInadequate information to assess carcinogenic potential2017
F	21-10
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 3272 3/PG 2
R-Sätze (R)	11-36/37-43
Gefahrensymbole	F,Xi
Sicherheitshinweise (S)	9-16-24-33-36/37
Gefahrenklasse	3.1Eye Irrit. 2Flam. Liq. 2STOT SE 3
Verpackungsgruppe	II
Lagerklasse	3 - Flammable liquids

CAS No.

762-75-4

Summenformel

C5H10O2

Durchschnittliche Molmasse

102,13 g/mol

Monoisotopische Masse

102,06807956 g/mol

SMILES

CC(C)(C)OC=O

InChIKey

RUPAXCPQAAOIPB-UHFFFAOYSA-N

PubChem CID

61207

ChEMBL

CHEMBL1236200

EC No.

212-105-0

DTXSID

DTXSID4024690

Lokaler Name

tert-Butylformiat

Chemische & physikalische Eigenschaften

XLogP

1,1

Polarare Oberfläche (TPSA)

26,3

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

Kovats Retention Index

585589

Schmelzpunkt

-93.85°C (estimate)

Siedepunkt

82-83 °C (lit.)

Dichte

0.872 g/mL at 25 °C (lit.)

Brechungsindex

n20/D 1.379(lit.)

Flammpunkt

15 °F

Lagerbedingungen

2-8°C

Löslichkeit

Acetonitrile (Slightly), Chloroform (Slightly)

Aggregatzustand

Colourless Oil

BRN

1738871

Henry-Konstante

1.4×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)

InChI

InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3

InChIKey

RUPAXCPQAAOIPB-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)=O

EPA chemische Informationen

tert-Butyl formate (762-75-4)

Sicherheit & Vorschriften

GHS-Einstufung

DangerH225: 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 exposureRespiratory 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)

Hazard Classes and Categories

Flam. Liq. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)Flammable liquid - category 2Eye irritation - category 2Specific target organ toxicity (single exposure) - category 3

RAIS Toxicity Values

0.008PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values

tert-Butyl FormatePDF DocumentInadequate information to assess carcinogenic potential2017

21-10

Wassergefährdungsklasse (WGK)

UN-Transportnummer

UN 3272 3/PG 2

R-Sätze (R)

11-36/37-43

Gefahrensymbole

F,Xi

Sicherheitshinweise (S)

9-16-24-33-36/37

Gefahrenklasse

3.1Eye Irrit. 2Flam. Liq. 2STOT SE 3

Verpackungsgruppe

Lagerklasse

3 - Flammable liquids