Pentanal, 2,3-dimethyl-

Modify Date: 2025-08-25 13:55:50

Pentanal, 2,3-dimethyl- Structure
Pentanal, 2,3-dimethyl- structure
 Common Name Pentanal, 2,3-dimethyl-
CAS Number 32749-94-3 Molecular Weight 114.18500
Density 0.803 g/cm3 Boiling Point 134.5ºC at 760 mmHg
Molecular Formula C7H14O Melting Point -110ºC
MSDS N/A Flash Point 58.3ºC

 Names

Name 2,3-dimethylpentanal
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.803 g/cm3
Boiling Point 134.5ºC at 760 mmHg
Melting Point -110ºC
Molecular Formula C7H14O
Molecular Weight 114.18500
Flash Point 58.3ºC
Exact Mass 114.10400
PSA 17.07000
LogP 1.86750
Index of Refraction 1.401
InChIKey BOHKXQAJUVXBDQ-UHFFFAOYSA-N
SMILES CCC(C)C(C)C=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV3850000
CHEMICAL NAME :
Valeraldehyde, 2,3-dimethyl-
CAS REGISTRY NUMBER :
32749-94-3
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H14-O
MOLECULAR WEIGHT :
114.21
WISWESSER LINE NOTATION :
VHY1&Y2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3540 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>6000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
7100 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

 Safety Information

Risk Phrases R10
Safety Phrases 16
RIDADR UN 1989
Packaging Group III
Hazard Class 3.2
HS Code 2912190090

 Synthetic Route

 Customs

HS Code 2912190090
Summary 2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

Einecs 251-193-5
2,3-dimethyl-valeraldehyd
dimethyl-2,3 pentanal
2,3-dimethyl pentanal
2,3-dimethylvaleraldehyde
Butanal,3-ethyl-2-methyl
2,3-Dimethylpentaldehyde
Pentanal,2,3-dimethyl
2,3-dimethylpentan-1-al
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